USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00991 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 21:sc= 0.436 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.854 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.6!) USER MOD Single : A 64 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-6.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -50:sc= 0.333 USER MOD Single : A 77 SER OG : rot 180:sc= -0.029 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -165:sc= -0.0444 (180deg=-0.363) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -135:sc= -0.265 (180deg=-1.96!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 132:sc= -0.158 (180deg=-0.942) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 3.004 -5.271 -2.177 1.00 60.32 N ATOM 36 CA SER A 3 2.327 -6.243 -3.028 1.00 53.31 C ATOM 37 C SER A 3 2.510 -7.658 -2.489 1.00 64.25 C ATOM 38 O SER A 3 3.445 -7.932 -1.735 1.00 12.31 O ATOM 39 CB SER A 3 2.859 -6.157 -4.460 1.00 12.41 C ATOM 40 OG SER A 3 4.085 -6.855 -4.591 1.00 72.02 O ATOM 0 HA SER A 3 1.262 -6.009 -3.029 1.00 53.31 H new ATOM 0 HB2 SER A 3 2.125 -6.573 -5.150 1.00 12.41 H new ATOM 0 HB3 SER A 3 3.000 -5.112 -4.737 1.00 12.41 H new ATOM 0 HG SER A 3 4.403 -6.786 -5.515 1.00 72.02 H new ATOM 46 N LEU A 4 1.612 -8.555 -2.882 1.00 44.22 N ATOM 47 CA LEU A 4 1.674 -9.944 -2.440 1.00 13.42 C ATOM 48 C LEU A 4 1.142 -10.883 -3.518 1.00 13.53 C ATOM 49 O LEU A 4 -0.035 -10.831 -3.876 1.00 54.14 O ATOM 50 CB LEU A 4 0.873 -10.124 -1.149 1.00 75.23 C ATOM 51 CG LEU A 4 1.203 -9.156 -0.013 1.00 22.11 C ATOM 52 CD1 LEU A 4 0.136 -9.219 1.069 1.00 4.22 C ATOM 53 CD2 LEU A 4 2.575 -9.466 0.569 1.00 12.52 C ATOM 0 H LEU A 4 0.833 -8.345 -3.506 1.00 44.22 H new ATOM 0 HA LEU A 4 2.718 -10.194 -2.251 1.00 13.42 H new ATOM 0 HB2 LEU A 4 -0.186 -10.027 -1.386 1.00 75.23 H new ATOM 0 HB3 LEU A 4 1.027 -11.141 -0.789 1.00 75.23 H new ATOM 0 HG LEU A 4 1.222 -8.144 -0.417 1.00 22.11 H new ATOM 0 HD11 LEU A 4 0.388 -8.523 1.869 1.00 4.22 H new ATOM 0 HD12 LEU A 4 -0.830 -8.948 0.643 1.00 4.22 H new ATOM 0 HD13 LEU A 4 0.085 -10.231 1.471 1.00 4.22 H new ATOM 0 HD21 LEU A 4 2.794 -8.767 1.377 1.00 12.52 H new ATOM 0 HD22 LEU A 4 2.584 -10.484 0.958 1.00 12.52 H new ATOM 0 HD23 LEU A 4 3.331 -9.369 -0.210 1.00 12.52 H new ATOM 65 N THR A 5 2.016 -11.743 -4.031 1.00 2.45 N ATOM 66 CA THR A 5 1.635 -12.694 -5.066 1.00 71.24 C ATOM 67 C THR A 5 0.843 -13.857 -4.480 1.00 73.11 C ATOM 68 O THR A 5 1.287 -14.511 -3.536 1.00 52.40 O ATOM 69 CB THR A 5 2.869 -13.248 -5.802 1.00 64.14 C ATOM 70 OG1 THR A 5 4.008 -12.420 -5.541 1.00 51.24 O ATOM 71 CG2 THR A 5 2.620 -13.318 -7.301 1.00 54.14 C ATOM 0 H THR A 5 2.994 -11.800 -3.746 1.00 2.45 H new ATOM 0 HA THR A 5 1.010 -12.153 -5.776 1.00 71.24 H new ATOM 0 HB THR A 5 3.061 -14.256 -5.434 1.00 64.14 H new ATOM 0 HG1 THR A 5 4.789 -12.780 -6.011 1.00 51.24 H new ATOM 0 HG21 THR A 5 3.506 -13.712 -7.799 1.00 54.14 H new ATOM 0 HG22 THR A 5 1.771 -13.972 -7.499 1.00 54.14 H new ATOM 0 HG23 THR A 5 2.404 -12.319 -7.681 1.00 54.14 H new ATOM 79 N VAL A 6 -0.333 -14.111 -5.046 1.00 20.31 N ATOM 80 CA VAL A 6 -1.187 -15.198 -4.580 1.00 42.51 C ATOM 81 C VAL A 6 -1.069 -16.417 -5.488 1.00 11.15 C ATOM 82 O VAL A 6 -1.061 -16.295 -6.713 1.00 15.23 O ATOM 83 CB VAL A 6 -2.663 -14.762 -4.513 1.00 4.03 C ATOM 84 CG1 VAL A 6 -3.511 -15.848 -3.869 1.00 11.24 C ATOM 85 CG2 VAL A 6 -2.796 -13.450 -3.755 1.00 13.30 C ATOM 0 H VAL A 6 -0.716 -13.579 -5.828 1.00 20.31 H new ATOM 0 HA VAL A 6 -0.848 -15.461 -3.578 1.00 42.51 H new ATOM 0 HB VAL A 6 -3.025 -14.606 -5.529 1.00 4.03 H new ATOM 0 HG11 VAL A 6 -4.551 -15.523 -3.830 1.00 11.24 H new ATOM 0 HG12 VAL A 6 -3.439 -16.763 -4.457 1.00 11.24 H new ATOM 0 HG13 VAL A 6 -3.152 -16.038 -2.857 1.00 11.24 H new ATOM 0 HG21 VAL A 6 -3.845 -13.156 -3.717 1.00 13.30 H new ATOM 0 HG22 VAL A 6 -2.417 -13.576 -2.741 1.00 13.30 H new ATOM 0 HG23 VAL A 6 -2.221 -12.676 -4.263 1.00 13.30 H new ATOM 95 N LYS A 7 -0.978 -17.594 -4.878 1.00 62.24 N ATOM 96 CA LYS A 7 -0.862 -18.838 -5.630 1.00 72.21 C ATOM 97 C LYS A 7 -2.097 -19.711 -5.431 1.00 54.22 C ATOM 98 O LYS A 7 -2.265 -20.336 -4.385 1.00 13.25 O ATOM 99 CB LYS A 7 0.391 -19.604 -5.199 1.00 51.23 C ATOM 100 CG LYS A 7 1.626 -18.729 -5.077 1.00 45.25 C ATOM 101 CD LYS A 7 2.868 -19.555 -4.784 1.00 13.54 C ATOM 102 CE LYS A 7 3.191 -20.501 -5.929 1.00 65.32 C ATOM 103 NZ LYS A 7 4.602 -20.977 -5.874 1.00 55.01 N ATOM 0 H LYS A 7 -0.982 -17.713 -3.865 1.00 62.24 H new ATOM 0 HA LYS A 7 -0.782 -18.588 -6.688 1.00 72.21 H new ATOM 0 HB2 LYS A 7 0.201 -20.085 -4.240 1.00 51.23 H new ATOM 0 HB3 LYS A 7 0.588 -20.397 -5.920 1.00 51.23 H new ATOM 0 HG2 LYS A 7 1.770 -18.170 -6.002 1.00 45.25 H new ATOM 0 HG3 LYS A 7 1.478 -17.998 -4.282 1.00 45.25 H new ATOM 0 HD2 LYS A 7 3.715 -18.891 -4.609 1.00 13.54 H new ATOM 0 HD3 LYS A 7 2.718 -20.128 -3.869 1.00 13.54 H new ATOM 0 HE2 LYS A 7 2.517 -21.357 -5.894 1.00 65.32 H new ATOM 0 HE3 LYS A 7 3.015 -19.995 -6.879 1.00 65.32 H new ATOM 0 HZ1 LYS A 7 4.783 -21.620 -6.671 1.00 55.01 H new ATOM 0 HZ2 LYS A 7 5.246 -20.162 -5.933 1.00 55.01 H new ATOM 0 HZ3 LYS A 7 4.763 -21.482 -4.979 1.00 55.01 H new ATOM 117 N ALA A 8 -2.958 -19.749 -6.443 1.00 71.51 N ATOM 118 CA ALA A 8 -4.176 -20.548 -6.380 1.00 63.42 C ATOM 119 C ALA A 8 -3.980 -21.901 -7.057 1.00 33.04 C ATOM 120 O ALA A 8 -3.221 -22.021 -8.019 1.00 32.14 O ATOM 121 CB ALA A 8 -5.333 -19.798 -7.022 1.00 12.44 C ATOM 0 H ALA A 8 -2.835 -19.236 -7.316 1.00 71.51 H new ATOM 0 HA ALA A 8 -4.411 -20.726 -5.331 1.00 63.42 H new ATOM 0 HB1 ALA A 8 -6.236 -20.406 -6.968 1.00 12.44 H new ATOM 0 HB2 ALA A 8 -5.496 -18.859 -6.493 1.00 12.44 H new ATOM 0 HB3 ALA A 8 -5.098 -19.590 -8.066 1.00 12.44 H new ATOM 127 N TYR A 9 -4.669 -22.917 -6.548 1.00 2.54 N ATOM 128 CA TYR A 9 -4.568 -24.262 -7.101 1.00 12.21 C ATOM 129 C TYR A 9 -5.951 -24.834 -7.397 1.00 52.33 C ATOM 130 O TYR A 9 -6.849 -24.787 -6.555 1.00 52.35 O ATOM 131 CB TYR A 9 -3.821 -25.180 -6.132 1.00 13.10 C ATOM 132 CG TYR A 9 -2.397 -24.748 -5.865 1.00 61.53 C ATOM 133 CD1 TYR A 9 -2.115 -23.740 -4.952 1.00 55.41 C ATOM 134 CD2 TYR A 9 -1.333 -25.349 -6.527 1.00 2.33 C ATOM 135 CE1 TYR A 9 -0.816 -23.341 -4.706 1.00 22.54 C ATOM 136 CE2 TYR A 9 -0.030 -24.958 -6.285 1.00 61.14 C ATOM 137 CZ TYR A 9 0.223 -23.954 -5.374 1.00 65.03 C ATOM 138 OH TYR A 9 1.520 -23.561 -5.132 1.00 71.12 O ATOM 0 H TYR A 9 -5.303 -22.834 -5.753 1.00 2.54 H new ATOM 0 HA TYR A 9 -4.011 -24.202 -8.036 1.00 12.21 H new ATOM 0 HB2 TYR A 9 -4.364 -25.216 -5.188 1.00 13.10 H new ATOM 0 HB3 TYR A 9 -3.815 -26.193 -6.535 1.00 13.10 H new ATOM 0 HD1 TYR A 9 -2.926 -23.260 -4.425 1.00 55.41 H new ATOM 0 HD2 TYR A 9 -1.528 -26.134 -7.242 1.00 2.33 H new ATOM 0 HE1 TYR A 9 -0.615 -22.554 -3.995 1.00 22.54 H new ATOM 0 HE2 TYR A 9 0.786 -25.436 -6.807 1.00 61.14 H new ATOM 0 HH TYR A 9 2.131 -24.093 -5.683 1.00 71.12 H new ATOM 148 N LEU A 10 -6.115 -25.374 -8.600 1.00 31.44 N ATOM 149 CA LEU A 10 -7.388 -25.957 -9.009 1.00 72.22 C ATOM 150 C LEU A 10 -7.402 -27.463 -8.763 1.00 52.52 C ATOM 151 O LEU A 10 -6.410 -28.151 -9.005 1.00 22.24 O ATOM 152 CB LEU A 10 -7.651 -25.668 -10.488 1.00 75.21 C ATOM 153 CG LEU A 10 -8.949 -26.238 -11.063 1.00 23.32 C ATOM 154 CD1 LEU A 10 -10.147 -25.744 -10.268 1.00 53.31 C ATOM 155 CD2 LEU A 10 -9.090 -25.866 -12.532 1.00 31.44 C ATOM 0 H LEU A 10 -5.383 -25.420 -9.309 1.00 31.44 H new ATOM 0 HA LEU A 10 -8.177 -25.503 -8.410 1.00 72.22 H new ATOM 0 HB2 LEU A 10 -7.658 -24.587 -10.631 1.00 75.21 H new ATOM 0 HB3 LEU A 10 -6.816 -26.061 -11.068 1.00 75.21 H new ATOM 0 HG LEU A 10 -8.912 -27.325 -10.986 1.00 23.32 H new ATOM 0 HD11 LEU A 10 -11.061 -26.160 -10.692 1.00 53.31 H new ATOM 0 HD12 LEU A 10 -10.051 -26.062 -9.230 1.00 53.31 H new ATOM 0 HD13 LEU A 10 -10.189 -24.656 -10.312 1.00 53.31 H new ATOM 0 HD21 LEU A 10 -10.019 -26.280 -12.925 1.00 31.44 H new ATOM 0 HD22 LEU A 10 -9.105 -24.781 -12.633 1.00 31.44 H new ATOM 0 HD23 LEU A 10 -8.247 -26.271 -13.092 1.00 31.44 H new ATOM 167 N LEU A 11 -8.533 -27.968 -8.284 1.00 13.33 N ATOM 168 CA LEU A 11 -8.678 -29.393 -8.007 1.00 51.20 C ATOM 169 C LEU A 11 -9.797 -30.000 -8.848 1.00 3.23 C ATOM 170 O LEU A 11 -10.804 -29.349 -9.122 1.00 42.25 O ATOM 171 CB LEU A 11 -8.962 -29.618 -6.521 1.00 11.52 C ATOM 172 CG LEU A 11 -8.254 -28.670 -5.551 1.00 60.54 C ATOM 173 CD1 LEU A 11 -8.505 -29.094 -4.112 1.00 53.45 C ATOM 174 CD2 LEU A 11 -6.761 -28.627 -5.843 1.00 51.34 C ATOM 0 H LEU A 11 -9.363 -27.412 -8.079 1.00 13.33 H new ATOM 0 HA LEU A 11 -7.742 -29.886 -8.270 1.00 51.20 H new ATOM 0 HB2 LEU A 11 -10.037 -29.534 -6.360 1.00 11.52 H new ATOM 0 HB3 LEU A 11 -8.681 -30.640 -6.269 1.00 11.52 H new ATOM 0 HG LEU A 11 -8.661 -27.668 -5.689 1.00 60.54 H new ATOM 0 HD11 LEU A 11 -7.994 -28.408 -3.436 1.00 53.45 H new ATOM 0 HD12 LEU A 11 -9.576 -29.074 -3.908 1.00 53.45 H new ATOM 0 HD13 LEU A 11 -8.126 -30.104 -3.959 1.00 53.45 H new ATOM 0 HD21 LEU A 11 -6.273 -27.948 -5.144 1.00 51.34 H new ATOM 0 HD22 LEU A 11 -6.340 -29.626 -5.732 1.00 51.34 H new ATOM 0 HD23 LEU A 11 -6.600 -28.276 -6.862 1.00 51.34 H new ATOM 186 N GLY A 12 -9.613 -31.253 -9.252 1.00 30.22 N ATOM 187 CA GLY A 12 -10.616 -31.928 -10.055 1.00 63.11 C ATOM 188 C GLY A 12 -11.302 -33.051 -9.303 1.00 2.02 C ATOM 189 O GLY A 12 -11.783 -32.858 -8.186 1.00 41.41 O ATOM 0 H GLY A 12 -8.788 -31.813 -9.038 1.00 30.22 H new ATOM 0 HA2 GLY A 12 -11.363 -31.204 -10.381 1.00 63.11 H new ATOM 0 HA3 GLY A 12 -10.147 -32.330 -10.953 1.00 63.11 H new ATOM 193 N LYS A 13 -11.349 -34.229 -9.916 1.00 14.03 N ATOM 194 CA LYS A 13 -11.982 -35.388 -9.298 1.00 30.31 C ATOM 195 C LYS A 13 -11.022 -36.085 -8.339 1.00 35.14 C ATOM 196 O LYS A 13 -11.424 -36.545 -7.270 1.00 53.13 O ATOM 197 CB LYS A 13 -12.450 -36.373 -10.372 1.00 51.43 C ATOM 198 CG LYS A 13 -13.154 -37.596 -9.811 1.00 40.03 C ATOM 199 CD LYS A 13 -12.850 -38.839 -10.631 1.00 23.05 C ATOM 200 CE LYS A 13 -13.566 -40.061 -10.077 1.00 14.15 C ATOM 201 NZ LYS A 13 -13.767 -41.106 -11.118 1.00 54.23 N ATOM 0 H LYS A 13 -10.956 -34.406 -10.840 1.00 14.03 H new ATOM 0 HA LYS A 13 -12.846 -35.040 -8.732 1.00 30.31 H new ATOM 0 HB2 LYS A 13 -13.124 -35.858 -11.056 1.00 51.43 H new ATOM 0 HB3 LYS A 13 -11.589 -36.696 -10.957 1.00 51.43 H new ATOM 0 HG2 LYS A 13 -12.842 -37.755 -8.779 1.00 40.03 H new ATOM 0 HG3 LYS A 13 -14.230 -37.423 -9.796 1.00 40.03 H new ATOM 0 HD2 LYS A 13 -13.153 -38.677 -11.666 1.00 23.05 H new ATOM 0 HD3 LYS A 13 -11.775 -39.018 -10.638 1.00 23.05 H new ATOM 0 HE2 LYS A 13 -12.988 -40.477 -9.252 1.00 14.15 H new ATOM 0 HE3 LYS A 13 -14.532 -39.762 -9.671 1.00 14.15 H new ATOM 0 HZ1 LYS A 13 -14.258 -41.922 -10.700 1.00 54.23 H new ATOM 0 HZ2 LYS A 13 -14.340 -40.717 -11.894 1.00 54.23 H new ATOM 0 HZ3 LYS A 13 -12.844 -41.410 -11.488 1.00 54.23 H new ATOM 215 N GLU A 14 -9.753 -36.158 -8.727 1.00 11.30 N ATOM 216 CA GLU A 14 -8.737 -36.798 -7.900 1.00 33.03 C ATOM 217 C GLU A 14 -8.019 -35.772 -7.028 1.00 53.20 C ATOM 218 O GLU A 14 -6.930 -36.030 -6.518 1.00 44.01 O ATOM 219 CB GLU A 14 -7.724 -37.536 -8.777 1.00 72.22 C ATOM 220 CG GLU A 14 -8.309 -38.735 -9.506 1.00 1.45 C ATOM 221 CD GLU A 14 -8.348 -39.980 -8.641 1.00 73.15 C ATOM 222 OE1 GLU A 14 -8.757 -39.875 -7.466 1.00 41.13 O ATOM 223 OE2 GLU A 14 -7.970 -41.060 -9.142 1.00 35.45 O ATOM 0 H GLU A 14 -9.404 -35.782 -9.609 1.00 11.30 H new ATOM 0 HA GLU A 14 -9.235 -37.517 -7.250 1.00 33.03 H new ATOM 0 HB2 GLU A 14 -7.315 -36.840 -9.510 1.00 72.22 H new ATOM 0 HB3 GLU A 14 -6.893 -37.869 -8.156 1.00 72.22 H new ATOM 0 HG2 GLU A 14 -9.319 -38.496 -9.839 1.00 1.45 H new ATOM 0 HG3 GLU A 14 -7.718 -38.936 -10.400 1.00 1.45 H new ATOM 230 N GLU A 15 -8.639 -34.607 -6.863 1.00 62.20 N ATOM 231 CA GLU A 15 -8.058 -33.542 -6.055 1.00 11.45 C ATOM 232 C GLU A 15 -6.623 -33.252 -6.486 1.00 12.13 C ATOM 233 O GLU A 15 -5.769 -32.930 -5.660 1.00 61.14 O ATOM 234 CB GLU A 15 -8.090 -33.920 -4.572 1.00 72.54 C ATOM 235 CG GLU A 15 -9.483 -33.885 -3.965 1.00 64.12 C ATOM 236 CD GLU A 15 -9.525 -34.471 -2.567 1.00 64.02 C ATOM 237 OE1 GLU A 15 -9.576 -35.713 -2.445 1.00 1.40 O ATOM 238 OE2 GLU A 15 -9.506 -33.687 -1.595 1.00 43.12 O ATOM 0 H GLU A 15 -9.542 -34.378 -7.278 1.00 62.20 H new ATOM 0 HA GLU A 15 -8.653 -32.642 -6.206 1.00 11.45 H new ATOM 0 HB2 GLU A 15 -7.675 -34.921 -4.452 1.00 72.54 H new ATOM 0 HB3 GLU A 15 -7.444 -33.239 -4.018 1.00 72.54 H new ATOM 0 HG2 GLU A 15 -9.836 -32.854 -3.934 1.00 64.12 H new ATOM 0 HG3 GLU A 15 -10.169 -34.437 -4.607 1.00 64.12 H new ATOM 245 N ALA A 16 -6.367 -33.369 -7.784 1.00 63.44 N ATOM 246 CA ALA A 16 -5.037 -33.119 -8.326 1.00 61.11 C ATOM 247 C ALA A 16 -4.973 -31.762 -9.019 1.00 61.32 C ATOM 248 O ALA A 16 -5.978 -31.266 -9.527 1.00 61.44 O ATOM 249 CB ALA A 16 -4.644 -34.227 -9.292 1.00 45.44 C ATOM 0 H ALA A 16 -7.063 -33.635 -8.480 1.00 63.44 H new ATOM 0 HA ALA A 16 -4.330 -33.108 -7.497 1.00 61.11 H new ATOM 0 HB1 ALA A 16 -3.649 -34.027 -9.689 1.00 45.44 H new ATOM 0 HB2 ALA A 16 -4.641 -35.183 -8.768 1.00 45.44 H new ATOM 0 HB3 ALA A 16 -5.361 -34.266 -10.112 1.00 45.44 H new ATOM 255 N ALA A 17 -3.785 -31.167 -9.035 1.00 41.41 N ATOM 256 CA ALA A 17 -3.590 -29.868 -9.667 1.00 52.40 C ATOM 257 C ALA A 17 -4.120 -29.868 -11.097 1.00 12.31 C ATOM 258 O ALA A 17 -3.498 -30.428 -11.999 1.00 73.43 O ATOM 259 CB ALA A 17 -2.117 -29.487 -9.648 1.00 71.11 C ATOM 0 H ALA A 17 -2.943 -31.564 -8.618 1.00 41.41 H new ATOM 0 HA ALA A 17 -4.153 -29.127 -9.099 1.00 52.40 H new ATOM 0 HB1 ALA A 17 -1.986 -28.515 -10.123 1.00 71.11 H new ATOM 0 HB2 ALA A 17 -1.767 -29.437 -8.617 1.00 71.11 H new ATOM 0 HB3 ALA A 17 -1.540 -30.236 -10.190 1.00 71.11 H new ATOM 265 N ARG A 18 -5.273 -29.236 -11.296 1.00 25.31 N ATOM 266 CA ARG A 18 -5.887 -29.166 -12.616 1.00 41.51 C ATOM 267 C ARG A 18 -5.385 -27.947 -13.385 1.00 2.22 C ATOM 268 O ARG A 18 -5.366 -27.942 -14.615 1.00 64.41 O ATOM 269 CB ARG A 18 -7.411 -29.111 -12.491 1.00 4.42 C ATOM 270 CG ARG A 18 -8.141 -29.791 -13.637 1.00 21.21 C ATOM 271 CD ARG A 18 -9.461 -30.391 -13.178 1.00 62.32 C ATOM 272 NE ARG A 18 -10.242 -30.914 -14.296 1.00 21.32 N ATOM 273 CZ ARG A 18 -10.878 -30.145 -15.172 1.00 10.41 C ATOM 274 NH1 ARG A 18 -10.825 -28.824 -15.060 1.00 72.55 N ATOM 275 NH2 ARG A 18 -11.568 -30.695 -16.162 1.00 74.23 N ATOM 0 H ARG A 18 -5.800 -28.766 -10.560 1.00 25.31 H new ATOM 0 HA ARG A 18 -5.607 -30.063 -13.168 1.00 41.51 H new ATOM 0 HB2 ARG A 18 -7.707 -29.581 -11.553 1.00 4.42 H new ATOM 0 HB3 ARG A 18 -7.725 -28.069 -12.439 1.00 4.42 H new ATOM 0 HG2 ARG A 18 -8.325 -29.069 -14.432 1.00 21.21 H new ATOM 0 HG3 ARG A 18 -7.511 -30.574 -14.058 1.00 21.21 H new ATOM 0 HD2 ARG A 18 -9.267 -31.192 -12.465 1.00 62.32 H new ATOM 0 HD3 ARG A 18 -10.042 -29.632 -12.654 1.00 62.32 H new ATOM 0 HE ARG A 18 -10.302 -31.926 -14.410 1.00 21.32 H new ATOM 0 HH11 ARG A 18 -10.295 -28.397 -14.300 1.00 72.55 H new ATOM 0 HH12 ARG A 18 -11.314 -28.235 -15.734 1.00 72.55 H new ATOM 0 HH21 ARG A 18 -11.611 -31.710 -16.251 1.00 74.23 H new ATOM 0 HH22 ARG A 18 -12.056 -30.103 -16.834 1.00 74.23 H new ATOM 289 N GLU A 19 -4.980 -26.915 -12.650 1.00 71.41 N ATOM 290 CA GLU A 19 -4.479 -25.691 -13.264 1.00 35.04 C ATOM 291 C GLU A 19 -3.789 -24.807 -12.229 1.00 62.11 C ATOM 292 O GLU A 19 -4.151 -24.813 -11.052 1.00 43.51 O ATOM 293 CB GLU A 19 -5.624 -24.921 -13.926 1.00 31.13 C ATOM 294 CG GLU A 19 -5.162 -23.936 -14.986 1.00 63.23 C ATOM 295 CD GLU A 19 -6.130 -22.785 -15.175 1.00 54.03 C ATOM 296 OE1 GLU A 19 -7.348 -23.044 -15.276 1.00 42.41 O ATOM 297 OE2 GLU A 19 -5.670 -21.625 -15.222 1.00 52.21 O ATOM 0 H GLU A 19 -4.989 -26.903 -11.630 1.00 71.41 H new ATOM 0 HA GLU A 19 -3.749 -25.968 -14.025 1.00 35.04 H new ATOM 0 HB2 GLU A 19 -6.315 -25.632 -14.379 1.00 31.13 H new ATOM 0 HB3 GLU A 19 -6.180 -24.382 -13.159 1.00 31.13 H new ATOM 0 HG2 GLU A 19 -4.184 -23.542 -14.709 1.00 63.23 H new ATOM 0 HG3 GLU A 19 -5.037 -24.460 -15.934 1.00 63.23 H new ATOM 304 N ILE A 20 -2.793 -24.050 -12.677 1.00 11.11 N ATOM 305 CA ILE A 20 -2.052 -23.161 -11.791 1.00 12.41 C ATOM 306 C ILE A 20 -2.031 -21.736 -12.334 1.00 52.11 C ATOM 307 O ILE A 20 -1.999 -21.523 -13.546 1.00 75.33 O ATOM 308 CB ILE A 20 -0.603 -23.643 -11.592 1.00 33.53 C ATOM 309 CG1 ILE A 20 -0.589 -25.093 -11.102 1.00 5.24 C ATOM 310 CG2 ILE A 20 0.126 -22.739 -10.610 1.00 20.04 C ATOM 311 CD1 ILE A 20 -1.215 -25.276 -9.737 1.00 54.31 C ATOM 0 H ILE A 20 -2.481 -24.035 -13.648 1.00 11.11 H new ATOM 0 HA ILE A 20 -2.566 -23.174 -10.830 1.00 12.41 H new ATOM 0 HB ILE A 20 -0.085 -23.597 -12.550 1.00 33.53 H new ATOM 0 HG12 ILE A 20 -1.119 -25.716 -11.822 1.00 5.24 H new ATOM 0 HG13 ILE A 20 0.441 -25.447 -11.071 1.00 5.24 H new ATOM 0 HG21 ILE A 20 1.149 -23.093 -10.480 1.00 20.04 H new ATOM 0 HG22 ILE A 20 0.141 -21.720 -10.996 1.00 20.04 H new ATOM 0 HG23 ILE A 20 -0.389 -22.756 -9.649 1.00 20.04 H new ATOM 0 HD11 ILE A 20 -1.170 -26.328 -9.454 1.00 54.31 H new ATOM 0 HD12 ILE A 20 -0.671 -24.680 -9.004 1.00 54.31 H new ATOM 0 HD13 ILE A 20 -2.256 -24.953 -9.768 1.00 54.31 H new ATOM 323 N ARG A 21 -2.047 -20.763 -11.429 1.00 33.02 N ATOM 324 CA ARG A 21 -2.029 -19.358 -11.817 1.00 15.11 C ATOM 325 C ARG A 21 -1.806 -18.461 -10.603 1.00 31.24 C ATOM 326 O ARG A 21 -2.148 -18.826 -9.478 1.00 20.43 O ATOM 327 CB ARG A 21 -3.341 -18.981 -12.508 1.00 51.02 C ATOM 328 CG ARG A 21 -3.184 -17.899 -13.565 1.00 21.55 C ATOM 329 CD ARG A 21 -2.305 -18.367 -14.714 1.00 2.11 C ATOM 330 NE ARG A 21 -2.504 -17.564 -15.917 1.00 51.42 N ATOM 331 CZ ARG A 21 -1.638 -17.520 -16.923 1.00 41.23 C ATOM 332 NH1 ARG A 21 -0.519 -18.230 -16.871 1.00 54.20 N ATOM 333 NH2 ARG A 21 -1.890 -16.765 -17.985 1.00 50.20 N ATOM 0 H ARG A 21 -2.072 -20.922 -10.422 1.00 33.02 H new ATOM 0 HA ARG A 21 -1.203 -19.210 -12.513 1.00 15.11 H new ATOM 0 HB2 ARG A 21 -3.766 -19.871 -12.972 1.00 51.02 H new ATOM 0 HB3 ARG A 21 -4.053 -18.642 -11.756 1.00 51.02 H new ATOM 0 HG2 ARG A 21 -4.165 -17.617 -13.947 1.00 21.55 H new ATOM 0 HG3 ARG A 21 -2.750 -17.007 -13.113 1.00 21.55 H new ATOM 0 HD2 ARG A 21 -1.258 -18.317 -14.414 1.00 2.11 H new ATOM 0 HD3 ARG A 21 -2.523 -19.412 -14.935 1.00 2.11 H new ATOM 0 HE ARG A 21 -3.355 -17.006 -15.989 1.00 51.42 H new ATOM 0 HH11 ARG A 21 -0.322 -18.812 -16.057 1.00 54.20 H new ATOM 0 HH12 ARG A 21 0.144 -18.194 -17.645 1.00 54.20 H new ATOM 0 HH21 ARG A 21 -2.750 -16.218 -18.029 1.00 50.20 H new ATOM 0 HH22 ARG A 21 -1.224 -16.732 -18.757 1.00 50.20 H new ATOM 347 N ARG A 22 -1.230 -17.287 -10.838 1.00 52.05 N ATOM 348 CA ARG A 22 -0.960 -16.339 -9.764 1.00 64.22 C ATOM 349 C ARG A 22 -1.277 -14.913 -10.205 1.00 24.12 C ATOM 350 O ARG A 22 -1.280 -14.607 -11.397 1.00 43.32 O ATOM 351 CB ARG A 22 0.503 -16.436 -9.326 1.00 50.14 C ATOM 352 CG ARG A 22 0.873 -17.785 -8.731 1.00 15.53 C ATOM 353 CD ARG A 22 2.316 -18.153 -9.038 1.00 55.24 C ATOM 354 NE ARG A 22 2.568 -18.224 -10.475 1.00 72.11 N ATOM 355 CZ ARG A 22 3.784 -18.212 -11.009 1.00 60.11 C ATOM 356 NH1 ARG A 22 4.853 -18.133 -10.229 1.00 43.53 N ATOM 357 NH2 ARG A 22 3.932 -18.280 -12.326 1.00 24.40 N ATOM 0 H ARG A 22 -0.941 -16.969 -11.763 1.00 52.05 H new ATOM 0 HA ARG A 22 -1.602 -16.591 -8.920 1.00 64.22 H new ATOM 0 HB2 ARG A 22 1.144 -16.239 -10.185 1.00 50.14 H new ATOM 0 HB3 ARG A 22 0.706 -15.657 -8.592 1.00 50.14 H new ATOM 0 HG2 ARG A 22 0.725 -17.761 -7.651 1.00 15.53 H new ATOM 0 HG3 ARG A 22 0.208 -18.553 -9.127 1.00 15.53 H new ATOM 0 HD2 ARG A 22 2.982 -17.416 -8.589 1.00 55.24 H new ATOM 0 HD3 ARG A 22 2.550 -19.114 -8.581 1.00 55.24 H new ATOM 0 HE ARG A 22 1.766 -18.286 -11.103 1.00 72.11 H new ATOM 0 HH11 ARG A 22 4.743 -18.081 -9.216 1.00 43.53 H new ATOM 0 HH12 ARG A 22 5.786 -18.124 -10.642 1.00 43.53 H new ATOM 0 HH21 ARG A 22 3.112 -18.342 -12.929 1.00 24.40 H new ATOM 0 HH22 ARG A 22 4.866 -18.271 -12.735 1.00 24.40 H new ATOM 371 N PHE A 23 -1.543 -14.045 -9.234 1.00 75.15 N ATOM 372 CA PHE A 23 -1.863 -12.652 -9.522 1.00 14.31 C ATOM 373 C PHE A 23 -1.300 -11.731 -8.444 1.00 0.25 C ATOM 374 O PHE A 23 -1.234 -12.098 -7.271 1.00 23.43 O ATOM 375 CB PHE A 23 -3.378 -12.465 -9.627 1.00 74.40 C ATOM 376 CG PHE A 23 -4.080 -12.499 -8.299 1.00 51.24 C ATOM 377 CD1 PHE A 23 -4.241 -11.340 -7.557 1.00 35.21 C ATOM 378 CD2 PHE A 23 -4.578 -13.689 -7.794 1.00 2.12 C ATOM 379 CE1 PHE A 23 -4.887 -11.367 -6.335 1.00 20.31 C ATOM 380 CE2 PHE A 23 -5.225 -13.722 -6.573 1.00 25.12 C ATOM 381 CZ PHE A 23 -5.378 -12.560 -5.842 1.00 32.21 C ATOM 0 H PHE A 23 -1.543 -14.282 -8.242 1.00 75.15 H new ATOM 0 HA PHE A 23 -1.405 -12.390 -10.476 1.00 14.31 H new ATOM 0 HB2 PHE A 23 -3.586 -11.512 -10.114 1.00 74.40 H new ATOM 0 HB3 PHE A 23 -3.789 -13.246 -10.266 1.00 74.40 H new ATOM 0 HD1 PHE A 23 -3.857 -10.405 -7.938 1.00 35.21 H new ATOM 0 HD2 PHE A 23 -4.459 -14.601 -8.360 1.00 2.12 H new ATOM 0 HE1 PHE A 23 -5.008 -10.457 -5.767 1.00 20.31 H new ATOM 0 HE2 PHE A 23 -5.611 -14.656 -6.191 1.00 25.12 H new ATOM 0 HZ PHE A 23 -5.881 -12.584 -4.886 1.00 32.21 H new ATOM 391 N SER A 24 -0.895 -10.532 -8.850 1.00 43.02 N ATOM 392 CA SER A 24 -0.333 -9.559 -7.921 1.00 23.14 C ATOM 393 C SER A 24 -1.431 -8.912 -7.082 1.00 4.10 C ATOM 394 O SER A 24 -2.368 -8.319 -7.616 1.00 71.24 O ATOM 395 CB SER A 24 0.444 -8.483 -8.683 1.00 33.53 C ATOM 396 OG SER A 24 -0.415 -7.736 -9.527 1.00 31.23 O ATOM 0 H SER A 24 -0.946 -10.211 -9.817 1.00 43.02 H new ATOM 0 HA SER A 24 0.349 -10.084 -7.253 1.00 23.14 H new ATOM 0 HB2 SER A 24 0.935 -7.815 -7.976 1.00 33.53 H new ATOM 0 HB3 SER A 24 1.229 -8.950 -9.279 1.00 33.53 H new ATOM 0 HG SER A 24 -1.340 -7.832 -9.219 1.00 31.23 H new ATOM 402 N PHE A 25 -1.307 -9.030 -5.764 1.00 60.11 N ATOM 403 CA PHE A 25 -2.288 -8.458 -4.850 1.00 15.02 C ATOM 404 C PHE A 25 -1.699 -7.273 -4.090 1.00 65.33 C ATOM 405 O PHE A 25 -0.480 -7.145 -3.969 1.00 24.15 O ATOM 406 CB PHE A 25 -2.776 -9.520 -3.862 1.00 13.30 C ATOM 407 CG PHE A 25 -3.937 -9.069 -3.022 1.00 2.21 C ATOM 408 CD1 PHE A 25 -5.145 -8.731 -3.610 1.00 71.40 C ATOM 409 CD2 PHE A 25 -3.819 -8.982 -1.644 1.00 52.20 C ATOM 410 CE1 PHE A 25 -6.215 -8.316 -2.840 1.00 33.42 C ATOM 411 CE2 PHE A 25 -4.886 -8.568 -0.869 1.00 1.02 C ATOM 412 CZ PHE A 25 -6.085 -8.234 -1.467 1.00 41.44 C ATOM 0 H PHE A 25 -0.537 -9.517 -5.305 1.00 60.11 H new ATOM 0 HA PHE A 25 -3.133 -8.104 -5.440 1.00 15.02 H new ATOM 0 HB2 PHE A 25 -3.064 -10.414 -4.415 1.00 13.30 H new ATOM 0 HB3 PHE A 25 -1.952 -9.802 -3.207 1.00 13.30 H new ATOM 0 HD1 PHE A 25 -5.252 -8.793 -4.683 1.00 71.40 H new ATOM 0 HD2 PHE A 25 -2.883 -9.240 -1.171 1.00 52.20 H new ATOM 0 HE1 PHE A 25 -7.152 -8.056 -3.311 1.00 33.42 H new ATOM 0 HE2 PHE A 25 -4.782 -8.506 0.204 1.00 1.02 H new ATOM 0 HZ PHE A 25 -6.919 -7.909 -0.863 1.00 41.44 H new ATOM 598 N GLY A 40 -14.164 -6.901 1.249 1.00 3.33 N ATOM 599 CA GLY A 40 -13.213 -6.053 0.554 1.00 0.54 C ATOM 600 C GLY A 40 -12.202 -6.849 -0.246 1.00 20.52 C ATOM 601 O GLY A 40 -12.287 -6.949 -1.470 1.00 44.21 O ATOM 0 HA2 GLY A 40 -13.751 -5.380 -0.114 1.00 0.54 H new ATOM 0 HA3 GLY A 40 -12.689 -5.430 1.279 1.00 0.54 H new ATOM 605 N PRO A 41 -11.217 -7.434 0.452 1.00 1.33 N ATOM 606 CA PRO A 41 -10.165 -8.235 -0.181 1.00 75.11 C ATOM 607 C PRO A 41 -10.694 -9.557 -0.728 1.00 52.54 C ATOM 608 O PRO A 41 -10.336 -9.970 -1.832 1.00 2.01 O ATOM 609 CB PRO A 41 -9.176 -8.486 0.959 1.00 24.51 C ATOM 610 CG PRO A 41 -9.993 -8.384 2.200 1.00 34.22 C ATOM 611 CD PRO A 41 -11.054 -7.357 1.914 1.00 60.42 C ATOM 0 HA PRO A 41 -9.726 -7.727 -1.040 1.00 75.11 H new ATOM 0 HB2 PRO A 41 -8.711 -9.468 0.871 1.00 24.51 H new ATOM 0 HB3 PRO A 41 -8.371 -7.751 0.954 1.00 24.51 H new ATOM 0 HG2 PRO A 41 -10.439 -9.346 2.454 1.00 34.22 H new ATOM 0 HG3 PRO A 41 -9.378 -8.084 3.049 1.00 34.22 H new ATOM 0 HD2 PRO A 41 -11.984 -7.584 2.435 1.00 60.42 H new ATOM 0 HD3 PRO A 41 -10.746 -6.361 2.232 1.00 60.42 H new ATOM 619 N CYS A 42 -11.548 -10.214 0.049 1.00 64.14 N ATOM 620 CA CYS A 42 -12.126 -11.490 -0.359 1.00 3.21 C ATOM 621 C CYS A 42 -12.746 -11.387 -1.749 1.00 5.33 C ATOM 622 O CYS A 42 -12.389 -12.139 -2.655 1.00 20.14 O ATOM 623 CB CYS A 42 -13.181 -11.941 0.651 1.00 14.05 C ATOM 624 SG CYS A 42 -14.080 -13.432 0.164 1.00 21.41 S ATOM 0 H CYS A 42 -11.855 -9.885 0.964 1.00 64.14 H new ATOM 0 HA CYS A 42 -11.326 -12.229 -0.392 1.00 3.21 H new ATOM 0 HB2 CYS A 42 -12.697 -12.119 1.611 1.00 14.05 H new ATOM 0 HB3 CYS A 42 -13.895 -11.131 0.800 1.00 14.05 H new ATOM 0 HG CYS A 42 -15.335 -13.304 0.477 1.00 21.41 H new ATOM 630 N GLU A 43 -13.676 -10.451 -1.908 1.00 13.00 N ATOM 631 CA GLU A 43 -14.347 -10.252 -3.187 1.00 54.02 C ATOM 632 C GLU A 43 -13.332 -10.109 -4.318 1.00 33.14 C ATOM 633 O GLU A 43 -13.396 -10.825 -5.317 1.00 63.01 O ATOM 634 CB GLU A 43 -15.243 -9.012 -3.131 1.00 63.42 C ATOM 635 CG GLU A 43 -15.813 -8.612 -4.481 1.00 42.15 C ATOM 636 CD GLU A 43 -15.453 -7.190 -4.868 1.00 74.41 C ATOM 637 OE1 GLU A 43 -15.552 -6.296 -4.002 1.00 72.41 O ATOM 638 OE2 GLU A 43 -15.073 -6.973 -6.038 1.00 1.44 O ATOM 0 H GLU A 43 -13.982 -9.819 -1.168 1.00 13.00 H new ATOM 0 HA GLU A 43 -14.964 -11.129 -3.385 1.00 54.02 H new ATOM 0 HB2 GLU A 43 -16.065 -9.199 -2.440 1.00 63.42 H new ATOM 0 HB3 GLU A 43 -14.670 -8.178 -2.726 1.00 63.42 H new ATOM 0 HG2 GLU A 43 -15.444 -9.297 -5.244 1.00 42.15 H new ATOM 0 HG3 GLU A 43 -16.898 -8.715 -4.458 1.00 42.15 H new ATOM 645 N ARG A 44 -12.398 -9.179 -4.152 1.00 24.15 N ATOM 646 CA ARG A 44 -11.370 -8.940 -5.158 1.00 31.41 C ATOM 647 C ARG A 44 -10.643 -10.235 -5.510 1.00 4.32 C ATOM 648 O ARG A 44 -10.459 -10.557 -6.684 1.00 42.45 O ATOM 649 CB ARG A 44 -10.367 -7.899 -4.657 1.00 34.33 C ATOM 650 CG ARG A 44 -10.571 -6.519 -5.259 1.00 44.30 C ATOM 651 CD ARG A 44 -9.284 -5.708 -5.241 1.00 60.34 C ATOM 652 NE ARG A 44 -9.366 -4.532 -6.103 1.00 14.34 N ATOM 653 CZ ARG A 44 -8.402 -3.623 -6.200 1.00 32.12 C ATOM 654 NH1 ARG A 44 -7.288 -3.756 -5.493 1.00 52.32 N ATOM 655 NH2 ARG A 44 -8.551 -2.579 -7.006 1.00 31.54 N ATOM 0 H ARG A 44 -12.332 -8.578 -3.330 1.00 24.15 H new ATOM 0 HA ARG A 44 -11.857 -8.561 -6.056 1.00 31.41 H new ATOM 0 HB2 ARG A 44 -10.442 -7.828 -3.572 1.00 34.33 H new ATOM 0 HB3 ARG A 44 -9.357 -8.240 -4.885 1.00 34.33 H new ATOM 0 HG2 ARG A 44 -10.926 -6.617 -6.285 1.00 44.30 H new ATOM 0 HG3 ARG A 44 -11.344 -5.989 -4.703 1.00 44.30 H new ATOM 0 HD2 ARG A 44 -9.067 -5.394 -4.220 1.00 60.34 H new ATOM 0 HD3 ARG A 44 -8.455 -6.337 -5.564 1.00 60.34 H new ATOM 0 HE ARG A 44 -10.210 -4.401 -6.661 1.00 14.34 H new ATOM 0 HH11 ARG A 44 -7.170 -4.557 -4.873 1.00 52.32 H new ATOM 0 HH12 ARG A 44 -6.549 -3.057 -5.569 1.00 52.32 H new ATOM 0 HH21 ARG A 44 -9.406 -2.474 -7.552 1.00 31.54 H new ATOM 0 HH22 ARG A 44 -7.810 -1.882 -7.080 1.00 31.54 H new ATOM 669 N LEU A 45 -10.230 -10.973 -4.485 1.00 54.21 N ATOM 670 CA LEU A 45 -9.522 -12.232 -4.685 1.00 72.44 C ATOM 671 C LEU A 45 -10.380 -13.221 -5.469 1.00 41.44 C ATOM 672 O LEU A 45 -9.956 -13.746 -6.499 1.00 62.44 O ATOM 673 CB LEU A 45 -9.129 -12.839 -3.337 1.00 45.24 C ATOM 674 CG LEU A 45 -8.760 -14.323 -3.351 1.00 14.11 C ATOM 675 CD1 LEU A 45 -7.632 -14.584 -4.337 1.00 32.14 C ATOM 676 CD2 LEU A 45 -8.371 -14.788 -1.956 1.00 25.45 C ATOM 0 H LEU A 45 -10.373 -10.721 -3.507 1.00 54.21 H new ATOM 0 HA LEU A 45 -8.620 -12.025 -5.261 1.00 72.44 H new ATOM 0 HB2 LEU A 45 -8.282 -12.278 -2.942 1.00 45.24 H new ATOM 0 HB3 LEU A 45 -9.957 -12.698 -2.642 1.00 45.24 H new ATOM 0 HG LEU A 45 -9.633 -14.892 -3.672 1.00 14.11 H new ATOM 0 HD11 LEU A 45 -7.383 -15.645 -4.333 1.00 32.14 H new ATOM 0 HD12 LEU A 45 -7.948 -14.289 -5.338 1.00 32.14 H new ATOM 0 HD13 LEU A 45 -6.755 -14.005 -4.048 1.00 32.14 H new ATOM 0 HD21 LEU A 45 -8.111 -15.846 -1.984 1.00 25.45 H new ATOM 0 HD22 LEU A 45 -7.513 -14.213 -1.607 1.00 25.45 H new ATOM 0 HD23 LEU A 45 -9.209 -14.638 -1.276 1.00 25.45 H new ATOM 688 N LEU A 46 -11.589 -13.467 -4.977 1.00 23.32 N ATOM 689 CA LEU A 46 -12.508 -14.391 -5.632 1.00 51.24 C ATOM 690 C LEU A 46 -12.786 -13.955 -7.068 1.00 30.54 C ATOM 691 O LEU A 46 -13.177 -14.766 -7.908 1.00 2.40 O ATOM 692 CB LEU A 46 -13.820 -14.477 -4.850 1.00 41.43 C ATOM 693 CG LEU A 46 -13.858 -15.497 -3.713 1.00 24.54 C ATOM 694 CD1 LEU A 46 -13.783 -16.913 -4.263 1.00 62.20 C ATOM 695 CD2 LEU A 46 -12.723 -15.244 -2.731 1.00 64.20 C ATOM 0 H LEU A 46 -11.956 -13.039 -4.127 1.00 23.32 H new ATOM 0 HA LEU A 46 -12.041 -15.375 -5.654 1.00 51.24 H new ATOM 0 HB2 LEU A 46 -14.038 -13.493 -4.436 1.00 41.43 H new ATOM 0 HB3 LEU A 46 -14.622 -14.713 -5.550 1.00 41.43 H new ATOM 0 HG LEU A 46 -14.803 -15.385 -3.182 1.00 24.54 H new ATOM 0 HD11 LEU A 46 -13.811 -17.626 -3.439 1.00 62.20 H new ATOM 0 HD12 LEU A 46 -14.630 -17.091 -4.926 1.00 62.20 H new ATOM 0 HD13 LEU A 46 -12.854 -17.039 -4.819 1.00 62.20 H new ATOM 0 HD21 LEU A 46 -12.766 -15.980 -1.928 1.00 64.20 H new ATOM 0 HD22 LEU A 46 -11.768 -15.328 -3.249 1.00 64.20 H new ATOM 0 HD23 LEU A 46 -12.821 -14.243 -2.311 1.00 64.20 H new ATOM 707 N SER A 47 -12.580 -12.671 -7.342 1.00 23.34 N ATOM 708 CA SER A 47 -12.809 -12.128 -8.675 1.00 15.40 C ATOM 709 C SER A 47 -11.734 -12.602 -9.648 1.00 33.22 C ATOM 710 O SER A 47 -12.039 -13.098 -10.733 1.00 23.44 O ATOM 711 CB SER A 47 -12.832 -10.599 -8.628 1.00 52.44 C ATOM 712 OG SER A 47 -14.137 -10.100 -8.866 1.00 72.45 O ATOM 0 H SER A 47 -12.255 -11.987 -6.658 1.00 23.34 H new ATOM 0 HA SER A 47 -13.776 -12.489 -9.026 1.00 15.40 H new ATOM 0 HB2 SER A 47 -12.481 -10.257 -7.655 1.00 52.44 H new ATOM 0 HB3 SER A 47 -12.145 -10.199 -9.374 1.00 52.44 H new ATOM 0 HG SER A 47 -14.125 -9.121 -8.829 1.00 72.45 H new ATOM 718 N ARG A 48 -10.476 -12.446 -9.251 1.00 44.21 N ATOM 719 CA ARG A 48 -9.354 -12.857 -10.087 1.00 53.44 C ATOM 720 C ARG A 48 -9.390 -14.360 -10.344 1.00 25.44 C ATOM 721 O ARG A 48 -9.299 -14.808 -11.487 1.00 22.43 O ATOM 722 CB ARG A 48 -8.030 -12.472 -9.426 1.00 45.02 C ATOM 723 CG ARG A 48 -8.014 -11.057 -8.871 1.00 60.03 C ATOM 724 CD ARG A 48 -8.488 -10.048 -9.905 1.00 41.15 C ATOM 725 NE ARG A 48 -7.759 -8.786 -9.812 1.00 53.44 N ATOM 726 CZ ARG A 48 -6.551 -8.594 -10.331 1.00 33.42 C ATOM 727 NH1 ARG A 48 -5.940 -9.578 -10.976 1.00 22.11 N ATOM 728 NH2 ARG A 48 -5.953 -7.417 -10.205 1.00 2.23 N ATOM 0 H ARG A 48 -10.207 -12.038 -8.356 1.00 44.21 H new ATOM 0 HA ARG A 48 -9.437 -12.341 -11.043 1.00 53.44 H new ATOM 0 HB2 ARG A 48 -7.820 -13.172 -8.618 1.00 45.02 H new ATOM 0 HB3 ARG A 48 -7.226 -12.576 -10.155 1.00 45.02 H new ATOM 0 HG2 ARG A 48 -8.653 -11.004 -7.989 1.00 60.03 H new ATOM 0 HG3 ARG A 48 -7.004 -10.803 -8.549 1.00 60.03 H new ATOM 0 HD2 ARG A 48 -8.363 -10.466 -10.904 1.00 41.15 H new ATOM 0 HD3 ARG A 48 -9.553 -9.862 -9.769 1.00 41.15 H new ATOM 0 HE ARG A 48 -8.202 -8.009 -9.321 1.00 53.44 H new ATOM 0 HH11 ARG A 48 -6.397 -10.484 -11.075 1.00 22.11 H new ATOM 0 HH12 ARG A 48 -5.013 -9.429 -11.374 1.00 22.11 H new ATOM 0 HH21 ARG A 48 -6.420 -6.658 -9.709 1.00 2.23 H new ATOM 0 HH22 ARG A 48 -5.026 -7.271 -10.604 1.00 2.23 H new ATOM 742 N VAL A 49 -9.521 -15.135 -9.272 1.00 33.34 N ATOM 743 CA VAL A 49 -9.569 -16.589 -9.380 1.00 10.51 C ATOM 744 C VAL A 49 -10.575 -17.028 -10.438 1.00 2.00 C ATOM 745 O VAL A 49 -10.388 -18.048 -11.101 1.00 32.04 O ATOM 746 CB VAL A 49 -9.939 -17.240 -8.034 1.00 3.20 C ATOM 747 CG1 VAL A 49 -10.027 -18.751 -8.178 1.00 63.44 C ATOM 748 CG2 VAL A 49 -8.930 -16.856 -6.962 1.00 61.10 C ATOM 0 H VAL A 49 -9.596 -14.780 -8.319 1.00 33.34 H new ATOM 0 HA VAL A 49 -8.572 -16.918 -9.672 1.00 10.51 H new ATOM 0 HB VAL A 49 -10.918 -16.871 -7.728 1.00 3.20 H new ATOM 0 HG11 VAL A 49 -10.289 -19.193 -7.217 1.00 63.44 H new ATOM 0 HG12 VAL A 49 -10.791 -19.002 -8.914 1.00 63.44 H new ATOM 0 HG13 VAL A 49 -9.064 -19.142 -8.507 1.00 63.44 H new ATOM 0 HG21 VAL A 49 -9.207 -17.325 -6.017 1.00 61.10 H new ATOM 0 HG22 VAL A 49 -7.937 -17.195 -7.258 1.00 61.10 H new ATOM 0 HG23 VAL A 49 -8.922 -15.773 -6.841 1.00 61.10 H new ATOM 758 N ALA A 50 -11.642 -16.251 -10.591 1.00 43.44 N ATOM 759 CA ALA A 50 -12.676 -16.558 -11.571 1.00 14.01 C ATOM 760 C ALA A 50 -12.157 -16.379 -12.993 1.00 45.12 C ATOM 761 O ALA A 50 -12.279 -17.276 -13.827 1.00 63.12 O ATOM 762 CB ALA A 50 -13.899 -15.682 -11.340 1.00 30.24 C ATOM 0 H ALA A 50 -11.813 -15.404 -10.049 1.00 43.44 H new ATOM 0 HA ALA A 50 -12.961 -17.603 -11.445 1.00 14.01 H new ATOM 0 HB1 ALA A 50 -14.663 -15.922 -12.079 1.00 30.24 H new ATOM 0 HB2 ALA A 50 -14.292 -15.863 -10.340 1.00 30.24 H new ATOM 0 HB3 ALA A 50 -13.619 -14.633 -11.436 1.00 30.24 H new ATOM 768 N VAL A 51 -11.576 -15.214 -13.264 1.00 54.11 N ATOM 769 CA VAL A 51 -11.037 -14.917 -14.586 1.00 34.41 C ATOM 770 C VAL A 51 -9.771 -15.722 -14.856 1.00 43.40 C ATOM 771 O VAL A 51 -9.377 -15.913 -16.007 1.00 73.05 O ATOM 772 CB VAL A 51 -10.723 -13.418 -14.740 1.00 43.52 C ATOM 773 CG1 VAL A 51 -9.799 -12.948 -13.626 1.00 75.12 C ATOM 774 CG2 VAL A 51 -10.110 -13.140 -16.104 1.00 42.34 C ATOM 0 H VAL A 51 -11.467 -14.461 -12.585 1.00 54.11 H new ATOM 0 HA VAL A 51 -11.802 -15.196 -15.310 1.00 34.41 H new ATOM 0 HB VAL A 51 -11.656 -12.860 -14.665 1.00 43.52 H new ATOM 0 HG11 VAL A 51 -9.588 -11.886 -13.752 1.00 75.12 H new ATOM 0 HG12 VAL A 51 -10.280 -13.111 -12.661 1.00 75.12 H new ATOM 0 HG13 VAL A 51 -8.866 -13.510 -13.666 1.00 75.12 H new ATOM 0 HG21 VAL A 51 -9.894 -12.076 -16.196 1.00 42.34 H new ATOM 0 HG22 VAL A 51 -9.186 -13.708 -16.210 1.00 42.34 H new ATOM 0 HG23 VAL A 51 -10.810 -13.437 -16.885 1.00 42.34 H new ATOM 784 N LEU A 52 -9.136 -16.191 -13.788 1.00 22.12 N ATOM 785 CA LEU A 52 -7.912 -16.976 -13.909 1.00 34.43 C ATOM 786 C LEU A 52 -8.231 -18.457 -14.091 1.00 13.11 C ATOM 787 O LEU A 52 -7.502 -19.181 -14.769 1.00 12.10 O ATOM 788 CB LEU A 52 -7.033 -16.781 -12.672 1.00 51.23 C ATOM 789 CG LEU A 52 -6.489 -15.369 -12.452 1.00 43.04 C ATOM 790 CD1 LEU A 52 -5.905 -15.234 -11.055 1.00 14.55 C ATOM 791 CD2 LEU A 52 -5.442 -15.031 -13.504 1.00 71.11 C ATOM 0 H LEU A 52 -9.448 -16.042 -12.828 1.00 22.12 H new ATOM 0 HA LEU A 52 -7.372 -16.628 -14.790 1.00 34.43 H new ATOM 0 HB2 LEU A 52 -7.609 -17.068 -11.792 1.00 51.23 H new ATOM 0 HB3 LEU A 52 -6.189 -17.468 -12.738 1.00 51.23 H new ATOM 0 HG LEU A 52 -7.314 -14.663 -12.549 1.00 43.04 H new ATOM 0 HD11 LEU A 52 -5.523 -14.223 -10.917 1.00 14.55 H new ATOM 0 HD12 LEU A 52 -6.681 -15.433 -10.316 1.00 14.55 H new ATOM 0 HD13 LEU A 52 -5.092 -15.949 -10.930 1.00 14.55 H new ATOM 0 HD21 LEU A 52 -5.066 -14.023 -13.332 1.00 71.11 H new ATOM 0 HD22 LEU A 52 -4.618 -15.742 -13.439 1.00 71.11 H new ATOM 0 HD23 LEU A 52 -5.891 -15.086 -14.496 1.00 71.11 H new ATOM 803 N PHE A 53 -9.327 -18.900 -13.483 1.00 24.04 N ATOM 804 CA PHE A 53 -9.743 -20.294 -13.579 1.00 34.24 C ATOM 805 C PHE A 53 -11.101 -20.410 -14.265 1.00 14.12 C ATOM 806 O PHE A 53 -12.108 -20.763 -13.650 1.00 22.50 O ATOM 807 CB PHE A 53 -9.807 -20.926 -12.187 1.00 31.53 C ATOM 808 CG PHE A 53 -8.460 -21.102 -11.546 1.00 31.30 C ATOM 809 CD1 PHE A 53 -7.691 -22.222 -11.816 1.00 24.41 C ATOM 810 CD2 PHE A 53 -7.964 -20.148 -10.673 1.00 44.51 C ATOM 811 CE1 PHE A 53 -6.450 -22.387 -11.228 1.00 75.23 C ATOM 812 CE2 PHE A 53 -6.724 -20.307 -10.083 1.00 11.41 C ATOM 813 CZ PHE A 53 -5.967 -21.428 -10.360 1.00 31.32 C ATOM 0 H PHE A 53 -9.942 -18.314 -12.919 1.00 24.04 H new ATOM 0 HA PHE A 53 -9.005 -20.827 -14.179 1.00 34.24 H new ATOM 0 HB2 PHE A 53 -10.429 -20.304 -11.543 1.00 31.53 H new ATOM 0 HB3 PHE A 53 -10.296 -21.898 -12.260 1.00 31.53 H new ATOM 0 HD1 PHE A 53 -8.065 -22.975 -12.494 1.00 24.41 H new ATOM 0 HD2 PHE A 53 -8.553 -19.270 -10.451 1.00 44.51 H new ATOM 0 HE1 PHE A 53 -5.860 -23.264 -11.447 1.00 75.23 H new ATOM 0 HE2 PHE A 53 -6.348 -19.555 -9.406 1.00 11.41 H new ATOM 0 HZ PHE A 53 -4.999 -21.554 -9.899 1.00 31.32 H new ATOM 823 N PRO A 54 -11.132 -20.104 -15.570 1.00 60.14 N ATOM 824 CA PRO A 54 -12.359 -20.166 -16.369 1.00 54.14 C ATOM 825 C PRO A 54 -12.834 -21.598 -16.593 1.00 41.33 C ATOM 826 O PRO A 54 -13.926 -21.826 -17.112 1.00 53.51 O ATOM 827 CB PRO A 54 -11.951 -19.524 -17.698 1.00 22.14 C ATOM 828 CG PRO A 54 -10.478 -19.732 -17.782 1.00 31.34 C ATOM 829 CD PRO A 54 -9.970 -19.675 -16.367 1.00 74.14 C ATOM 0 HA PRO A 54 -13.192 -19.664 -15.876 1.00 54.14 H new ATOM 0 HB2 PRO A 54 -12.465 -19.991 -18.538 1.00 22.14 H new ATOM 0 HB3 PRO A 54 -12.203 -18.464 -17.720 1.00 22.14 H new ATOM 0 HG2 PRO A 54 -10.245 -20.692 -18.242 1.00 31.34 H new ATOM 0 HG3 PRO A 54 -10.010 -18.963 -18.396 1.00 31.34 H new ATOM 0 HD2 PRO A 54 -9.116 -20.336 -16.220 1.00 74.14 H new ATOM 0 HD3 PRO A 54 -9.646 -18.670 -16.096 1.00 74.14 H new ATOM 837 N ALA A 55 -12.006 -22.559 -16.198 1.00 61.22 N ATOM 838 CA ALA A 55 -12.343 -23.969 -16.354 1.00 5.13 C ATOM 839 C ALA A 55 -13.673 -24.293 -15.682 1.00 43.11 C ATOM 840 O ALA A 55 -14.366 -25.232 -16.076 1.00 12.33 O ATOM 841 CB ALA A 55 -11.235 -24.842 -15.783 1.00 64.05 C ATOM 0 H ALA A 55 -11.097 -22.387 -15.768 1.00 61.22 H new ATOM 0 HA ALA A 55 -12.443 -24.178 -17.419 1.00 5.13 H new ATOM 0 HB1 ALA A 55 -11.499 -25.892 -15.906 1.00 64.05 H new ATOM 0 HB2 ALA A 55 -10.303 -24.638 -16.310 1.00 64.05 H new ATOM 0 HB3 ALA A 55 -11.108 -24.622 -14.723 1.00 64.05 H new ATOM 847 N LEU A 56 -14.023 -23.512 -14.667 1.00 11.44 N ATOM 848 CA LEU A 56 -15.271 -23.716 -13.939 1.00 40.11 C ATOM 849 C LEU A 56 -16.127 -22.453 -13.961 1.00 22.55 C ATOM 850 O LEU A 56 -15.771 -21.461 -14.597 1.00 32.42 O ATOM 851 CB LEU A 56 -14.981 -24.125 -12.494 1.00 3.41 C ATOM 852 CG LEU A 56 -13.891 -23.327 -11.777 1.00 13.44 C ATOM 853 CD1 LEU A 56 -14.412 -22.780 -10.456 1.00 64.32 C ATOM 854 CD2 LEU A 56 -12.659 -24.190 -11.550 1.00 71.41 C ATOM 0 H LEU A 56 -13.461 -22.731 -14.329 1.00 11.44 H new ATOM 0 HA LEU A 56 -15.824 -24.516 -14.432 1.00 40.11 H new ATOM 0 HB2 LEU A 56 -15.904 -24.038 -11.921 1.00 3.41 H new ATOM 0 HB3 LEU A 56 -14.698 -25.178 -12.485 1.00 3.41 H new ATOM 0 HG LEU A 56 -13.608 -22.486 -12.410 1.00 13.44 H new ATOM 0 HD11 LEU A 56 -13.623 -22.215 -9.960 1.00 64.32 H new ATOM 0 HD12 LEU A 56 -15.264 -22.126 -10.644 1.00 64.32 H new ATOM 0 HD13 LEU A 56 -14.723 -23.607 -9.817 1.00 64.32 H new ATOM 0 HD21 LEU A 56 -11.894 -23.605 -11.039 1.00 71.41 H new ATOM 0 HD22 LEU A 56 -12.926 -25.052 -10.938 1.00 71.41 H new ATOM 0 HD23 LEU A 56 -12.273 -24.532 -12.510 1.00 71.41 H new ATOM 866 N ARG A 57 -17.255 -22.498 -13.259 1.00 40.34 N ATOM 867 CA ARG A 57 -18.161 -21.357 -13.197 1.00 61.12 C ATOM 868 C ARG A 57 -17.451 -20.129 -12.636 1.00 43.42 C ATOM 869 O ARG A 57 -16.454 -20.230 -11.921 1.00 22.21 O ATOM 870 CB ARG A 57 -19.379 -21.693 -12.335 1.00 74.03 C ATOM 871 CG ARG A 57 -20.381 -22.604 -13.025 1.00 70.44 C ATOM 872 CD ARG A 57 -21.639 -22.783 -12.190 1.00 71.21 C ATOM 873 NE ARG A 57 -22.102 -24.168 -12.187 1.00 23.41 N ATOM 874 CZ ARG A 57 -23.031 -24.631 -11.358 1.00 1.01 C ATOM 875 NH1 ARG A 57 -23.594 -23.823 -10.470 1.00 41.24 N ATOM 876 NH2 ARG A 57 -23.399 -25.904 -11.416 1.00 70.50 N ATOM 0 H ARG A 57 -17.563 -23.311 -12.726 1.00 40.34 H new ATOM 0 HA ARG A 57 -18.492 -21.132 -14.211 1.00 61.12 H new ATOM 0 HB2 ARG A 57 -19.042 -22.169 -11.414 1.00 74.03 H new ATOM 0 HB3 ARG A 57 -19.879 -20.767 -12.050 1.00 74.03 H new ATOM 0 HG2 ARG A 57 -20.645 -22.187 -13.997 1.00 70.44 H new ATOM 0 HG3 ARG A 57 -19.924 -23.576 -13.209 1.00 70.44 H new ATOM 0 HD2 ARG A 57 -21.443 -22.464 -11.166 1.00 71.21 H new ATOM 0 HD3 ARG A 57 -22.427 -22.138 -12.579 1.00 71.21 H new ATOM 0 HE ARG A 57 -21.689 -24.816 -12.858 1.00 23.41 H new ATOM 0 HH11 ARG A 57 -23.314 -22.843 -10.422 1.00 41.24 H new ATOM 0 HH12 ARG A 57 -24.307 -24.181 -9.835 1.00 41.24 H new ATOM 0 HH21 ARG A 57 -22.969 -26.529 -12.098 1.00 70.50 H new ATOM 0 HH22 ARG A 57 -24.112 -26.258 -10.779 1.00 70.50 H new ATOM 890 N PRO A 58 -17.974 -18.939 -12.968 1.00 34.13 N ATOM 891 CA PRO A 58 -17.407 -17.668 -12.508 1.00 24.31 C ATOM 892 C PRO A 58 -17.609 -17.450 -11.012 1.00 63.53 C ATOM 893 O PRO A 58 -16.669 -17.118 -10.291 1.00 32.31 O ATOM 894 CB PRO A 58 -18.183 -16.622 -13.311 1.00 14.35 C ATOM 895 CG PRO A 58 -19.476 -17.283 -13.644 1.00 41.13 C ATOM 896 CD PRO A 58 -19.162 -18.743 -13.817 1.00 24.34 C ATOM 0 HA PRO A 58 -16.328 -17.625 -12.657 1.00 24.31 H new ATOM 0 HB2 PRO A 58 -18.341 -15.714 -12.730 1.00 14.35 H new ATOM 0 HB3 PRO A 58 -17.642 -16.334 -14.212 1.00 14.35 H new ATOM 0 HG2 PRO A 58 -20.207 -17.133 -12.850 1.00 41.13 H new ATOM 0 HG3 PRO A 58 -19.905 -16.865 -14.555 1.00 41.13 H new ATOM 0 HD2 PRO A 58 -19.992 -19.373 -13.498 1.00 24.34 H new ATOM 0 HD3 PRO A 58 -18.957 -18.989 -14.859 1.00 24.34 H new ATOM 904 N GLY A 59 -18.842 -17.640 -10.552 1.00 62.44 N ATOM 905 CA GLY A 59 -19.144 -17.460 -9.144 1.00 73.35 C ATOM 906 C GLY A 59 -19.747 -18.702 -8.517 1.00 65.04 C ATOM 907 O GLY A 59 -20.706 -18.617 -7.753 1.00 15.32 O ATOM 0 H GLY A 59 -19.637 -17.915 -11.129 1.00 62.44 H new ATOM 0 HA2 GLY A 59 -18.231 -17.194 -8.611 1.00 73.35 H new ATOM 0 HA3 GLY A 59 -19.836 -16.626 -9.028 1.00 73.35 H new ATOM 911 N GLY A 60 -19.182 -19.861 -8.843 1.00 61.11 N ATOM 912 CA GLY A 60 -19.684 -21.109 -8.299 1.00 23.41 C ATOM 913 C GLY A 60 -18.576 -21.995 -7.764 1.00 32.32 C ATOM 914 O GLY A 60 -18.508 -23.181 -8.088 1.00 74.01 O ATOM 0 H GLY A 60 -18.386 -19.957 -9.474 1.00 61.11 H new ATOM 0 HA2 GLY A 60 -20.392 -20.894 -7.498 1.00 23.41 H new ATOM 0 HA3 GLY A 60 -20.232 -21.645 -9.074 1.00 23.41 H new ATOM 918 N PHE A 61 -17.704 -21.419 -6.943 1.00 34.22 N ATOM 919 CA PHE A 61 -16.592 -22.164 -6.364 1.00 15.15 C ATOM 920 C PHE A 61 -16.230 -21.616 -4.986 1.00 45.15 C ATOM 921 O PHE A 61 -16.456 -20.442 -4.696 1.00 12.25 O ATOM 922 CB PHE A 61 -15.374 -22.102 -7.287 1.00 21.53 C ATOM 923 CG PHE A 61 -14.728 -20.747 -7.338 1.00 33.20 C ATOM 924 CD1 PHE A 61 -13.724 -20.410 -6.446 1.00 3.44 C ATOM 925 CD2 PHE A 61 -15.127 -19.811 -8.278 1.00 43.33 C ATOM 926 CE1 PHE A 61 -13.127 -19.163 -6.490 1.00 73.42 C ATOM 927 CE2 PHE A 61 -14.534 -18.563 -8.328 1.00 23.30 C ATOM 928 CZ PHE A 61 -13.534 -18.239 -7.432 1.00 43.21 C ATOM 0 H PHE A 61 -17.746 -20.439 -6.664 1.00 34.22 H new ATOM 0 HA PHE A 61 -16.901 -23.203 -6.252 1.00 15.15 H new ATOM 0 HB2 PHE A 61 -14.638 -22.834 -6.954 1.00 21.53 H new ATOM 0 HB3 PHE A 61 -15.676 -22.390 -8.294 1.00 21.53 H new ATOM 0 HD1 PHE A 61 -13.403 -21.129 -5.707 1.00 3.44 H new ATOM 0 HD2 PHE A 61 -15.910 -20.059 -8.980 1.00 43.33 H new ATOM 0 HE1 PHE A 61 -12.344 -18.913 -5.789 1.00 73.42 H new ATOM 0 HE2 PHE A 61 -14.852 -17.842 -9.067 1.00 23.30 H new ATOM 0 HZ PHE A 61 -13.071 -17.264 -7.468 1.00 43.21 H new ATOM 938 N GLN A 62 -15.666 -22.475 -4.144 1.00 23.41 N ATOM 939 CA GLN A 62 -15.273 -22.078 -2.797 1.00 63.02 C ATOM 940 C GLN A 62 -13.776 -22.280 -2.585 1.00 41.11 C ATOM 941 O GLN A 62 -13.241 -23.356 -2.849 1.00 74.42 O ATOM 942 CB GLN A 62 -16.060 -22.877 -1.757 1.00 4.12 C ATOM 943 CG GLN A 62 -17.034 -22.033 -0.951 1.00 52.04 C ATOM 944 CD GLN A 62 -16.380 -20.809 -0.341 1.00 32.10 C ATOM 945 OE1 GLN A 62 -16.924 -19.706 -0.400 1.00 11.12 O ATOM 946 NE2 GLN A 62 -15.206 -20.998 0.250 1.00 13.32 N ATOM 0 H GLN A 62 -15.471 -23.450 -4.370 1.00 23.41 H new ATOM 0 HA GLN A 62 -15.499 -21.018 -2.677 1.00 63.02 H new ATOM 0 HB2 GLN A 62 -16.611 -23.671 -2.262 1.00 4.12 H new ATOM 0 HB3 GLN A 62 -15.359 -23.359 -1.075 1.00 4.12 H new ATOM 0 HG2 GLN A 62 -17.855 -21.718 -1.595 1.00 52.04 H new ATOM 0 HG3 GLN A 62 -17.467 -22.642 -0.158 1.00 52.04 H new ATOM 0 HE21 GLN A 62 -14.792 -21.930 0.275 1.00 13.32 H new ATOM 0 HE22 GLN A 62 -14.718 -20.211 0.679 1.00 13.32 H new ATOM 955 N ALA A 63 -13.105 -21.237 -2.107 1.00 51.11 N ATOM 956 CA ALA A 63 -11.670 -21.301 -1.858 1.00 53.51 C ATOM 957 C ALA A 63 -11.381 -21.687 -0.412 1.00 22.53 C ATOM 958 O ALA A 63 -11.876 -21.055 0.522 1.00 42.02 O ATOM 959 CB ALA A 63 -11.017 -19.967 -2.191 1.00 33.15 C ATOM 0 H ALA A 63 -13.532 -20.338 -1.885 1.00 51.11 H new ATOM 0 HA ALA A 63 -11.248 -22.071 -2.503 1.00 53.51 H new ATOM 0 HB1 ALA A 63 -9.946 -20.029 -2.000 1.00 33.15 H new ATOM 0 HB2 ALA A 63 -11.186 -19.732 -3.242 1.00 33.15 H new ATOM 0 HB3 ALA A 63 -11.451 -19.184 -1.569 1.00 33.15 H new ATOM 965 N HIS A 64 -10.577 -22.731 -0.233 1.00 4.33 N ATOM 966 CA HIS A 64 -10.221 -23.202 1.101 1.00 33.11 C ATOM 967 C HIS A 64 -8.748 -22.937 1.396 1.00 31.34 C ATOM 968 O HIS A 64 -7.882 -23.184 0.556 1.00 14.32 O ATOM 969 CB HIS A 64 -10.520 -24.696 1.233 1.00 4.24 C ATOM 970 CG HIS A 64 -11.957 -25.043 0.997 1.00 14.35 C ATOM 971 ND1 HIS A 64 -12.580 -24.883 -0.223 1.00 3.24 N ATOM 972 CD2 HIS A 64 -12.896 -25.545 1.834 1.00 65.54 C ATOM 973 CE1 HIS A 64 -13.839 -25.271 -0.126 1.00 41.43 C ATOM 974 NE2 HIS A 64 -14.056 -25.678 1.111 1.00 1.34 N ATOM 0 H HIS A 64 -10.160 -23.266 -0.995 1.00 4.33 H new ATOM 0 HA HIS A 64 -10.822 -22.653 1.826 1.00 33.11 H new ATOM 0 HB2 HIS A 64 -9.901 -25.246 0.524 1.00 4.24 H new ATOM 0 HB3 HIS A 64 -10.234 -25.028 2.231 1.00 4.24 H new ATOM 0 HD2 HIS A 64 -12.758 -25.794 2.876 1.00 65.54 H new ATOM 0 HE1 HIS A 64 -14.567 -25.258 -0.923 1.00 41.43 H new ATOM 0 HE2 HIS A 64 -14.942 -26.034 1.471 1.00 1.34 H new ATOM 982 N TYR A 65 -8.471 -22.434 2.594 1.00 50.21 N ATOM 983 CA TYR A 65 -7.103 -22.133 2.999 1.00 40.44 C ATOM 984 C TYR A 65 -6.680 -23.003 4.178 1.00 3.32 C ATOM 985 O TYR A 65 -7.472 -23.271 5.082 1.00 44.31 O ATOM 986 CB TYR A 65 -6.972 -20.654 3.368 1.00 20.11 C ATOM 987 CG TYR A 65 -7.499 -20.325 4.747 1.00 73.55 C ATOM 988 CD1 TYR A 65 -8.862 -20.175 4.973 1.00 22.33 C ATOM 989 CD2 TYR A 65 -6.635 -20.166 5.823 1.00 63.04 C ATOM 990 CE1 TYR A 65 -9.348 -19.874 6.231 1.00 63.32 C ATOM 991 CE2 TYR A 65 -7.112 -19.866 7.084 1.00 62.40 C ATOM 992 CZ TYR A 65 -8.469 -19.721 7.283 1.00 61.01 C ATOM 993 OH TYR A 65 -8.949 -19.423 8.537 1.00 12.45 O ATOM 0 H TYR A 65 -9.176 -22.226 3.302 1.00 50.21 H new ATOM 0 HA TYR A 65 -6.445 -22.350 2.157 1.00 40.44 H new ATOM 0 HB2 TYR A 65 -5.922 -20.366 3.311 1.00 20.11 H new ATOM 0 HB3 TYR A 65 -7.508 -20.055 2.631 1.00 20.11 H new ATOM 0 HD1 TYR A 65 -9.553 -20.296 4.152 1.00 22.33 H new ATOM 0 HD2 TYR A 65 -5.572 -20.279 5.671 1.00 63.04 H new ATOM 0 HE1 TYR A 65 -10.410 -19.759 6.390 1.00 63.32 H new ATOM 0 HE2 TYR A 65 -6.426 -19.746 7.910 1.00 62.40 H new ATOM 0 HH TYR A 65 -8.200 -19.350 9.165 1.00 12.45 H new ATOM 1003 N ARG A 66 -5.425 -23.440 4.162 1.00 22.01 N ATOM 1004 CA ARG A 66 -4.895 -24.280 5.229 1.00 22.22 C ATOM 1005 C ARG A 66 -4.540 -23.443 6.455 1.00 71.23 C ATOM 1006 O ARG A 66 -4.004 -22.342 6.333 1.00 60.23 O ATOM 1007 CB ARG A 66 -3.660 -25.041 4.743 1.00 43.42 C ATOM 1008 CG ARG A 66 -2.395 -24.198 4.722 1.00 23.24 C ATOM 1009 CD ARG A 66 -1.553 -24.427 5.968 1.00 64.43 C ATOM 1010 NE ARG A 66 -0.145 -24.642 5.644 1.00 23.54 N ATOM 1011 CZ ARG A 66 0.842 -24.489 6.520 1.00 2.02 C ATOM 1012 NH1 ARG A 66 0.576 -24.122 7.766 1.00 1.11 N ATOM 1013 NH2 ARG A 66 2.098 -24.703 6.150 1.00 23.44 N ATOM 0 H ARG A 66 -4.756 -23.226 3.422 1.00 22.01 H new ATOM 0 HA ARG A 66 -5.667 -24.996 5.510 1.00 22.22 H new ATOM 0 HB2 ARG A 66 -3.500 -25.906 5.387 1.00 43.42 H new ATOM 0 HB3 ARG A 66 -3.850 -25.422 3.739 1.00 43.42 H new ATOM 0 HG2 ARG A 66 -1.809 -24.441 3.836 1.00 23.24 H new ATOM 0 HG3 ARG A 66 -2.660 -23.143 4.649 1.00 23.24 H new ATOM 0 HD2 ARG A 66 -1.645 -23.567 6.631 1.00 64.43 H new ATOM 0 HD3 ARG A 66 -1.936 -25.291 6.511 1.00 64.43 H new ATOM 0 HE ARG A 66 0.093 -24.925 4.693 1.00 23.54 H new ATOM 0 HH11 ARG A 66 -0.388 -23.956 8.054 1.00 1.11 H new ATOM 0 HH12 ARG A 66 1.336 -24.005 8.437 1.00 1.11 H new ATOM 0 HH21 ARG A 66 2.306 -24.985 5.192 1.00 23.44 H new ATOM 0 HH22 ARG A 66 2.855 -24.585 6.823 1.00 23.44 H new ATOM 1027 N ALA A 67 -4.844 -23.973 7.635 1.00 63.30 N ATOM 1028 CA ALA A 67 -4.556 -23.276 8.882 1.00 22.33 C ATOM 1029 C ALA A 67 -3.341 -23.879 9.580 1.00 12.12 C ATOM 1030 O ALA A 67 -2.659 -24.739 9.025 1.00 61.12 O ATOM 1031 CB ALA A 67 -5.768 -23.315 9.801 1.00 71.42 C ATOM 0 H ALA A 67 -5.290 -24.883 7.753 1.00 63.30 H new ATOM 0 HA ALA A 67 -4.328 -22.237 8.644 1.00 22.33 H new ATOM 0 HB1 ALA A 67 -5.538 -22.791 10.729 1.00 71.42 H new ATOM 0 HB2 ALA A 67 -6.612 -22.831 9.310 1.00 71.42 H new ATOM 0 HB3 ALA A 67 -6.023 -24.351 10.024 1.00 71.42 H new ATOM 1037 N GLU A 68 -3.077 -23.421 10.800 1.00 54.30 N ATOM 1038 CA GLU A 68 -1.943 -23.915 11.572 1.00 14.31 C ATOM 1039 C GLU A 68 -1.952 -25.439 11.636 1.00 65.40 C ATOM 1040 O GLU A 68 -0.902 -26.080 11.569 1.00 10.53 O ATOM 1041 CB GLU A 68 -1.970 -23.334 12.987 1.00 2.14 C ATOM 1042 CG GLU A 68 -3.302 -23.516 13.695 1.00 1.03 C ATOM 1043 CD GLU A 68 -3.405 -22.693 14.965 1.00 53.13 C ATOM 1044 OE1 GLU A 68 -3.677 -21.478 14.864 1.00 21.34 O ATOM 1045 OE2 GLU A 68 -3.215 -23.264 16.059 1.00 64.43 O ATOM 0 H GLU A 68 -3.633 -22.709 11.274 1.00 54.30 H new ATOM 0 HA GLU A 68 -1.028 -23.595 11.073 1.00 14.31 H new ATOM 0 HB2 GLU A 68 -1.186 -23.806 13.579 1.00 2.14 H new ATOM 0 HB3 GLU A 68 -1.736 -22.270 12.938 1.00 2.14 H new ATOM 0 HG2 GLU A 68 -4.110 -23.236 13.019 1.00 1.03 H new ATOM 0 HG3 GLU A 68 -3.439 -24.570 13.937 1.00 1.03 H new ATOM 1052 N ARG A 69 -3.143 -26.014 11.766 1.00 2.12 N ATOM 1053 CA ARG A 69 -3.288 -27.463 11.841 1.00 12.41 C ATOM 1054 C ARG A 69 -3.126 -28.097 10.463 1.00 71.31 C ATOM 1055 O ARG A 69 -2.728 -29.255 10.344 1.00 24.14 O ATOM 1056 CB ARG A 69 -4.653 -27.830 12.426 1.00 12.12 C ATOM 1057 CG ARG A 69 -4.831 -27.400 13.873 1.00 55.51 C ATOM 1058 CD ARG A 69 -5.937 -28.189 14.557 1.00 64.01 C ATOM 1059 NE ARG A 69 -5.478 -29.504 14.996 1.00 32.24 N ATOM 1060 CZ ARG A 69 -4.689 -29.694 16.048 1.00 14.23 C ATOM 1061 NH1 ARG A 69 -4.274 -28.658 16.765 1.00 71.42 N ATOM 1062 NH2 ARG A 69 -4.315 -30.921 16.386 1.00 60.35 N ATOM 0 H ARG A 69 -4.022 -25.499 11.822 1.00 2.12 H new ATOM 0 HA ARG A 69 -2.505 -27.849 12.494 1.00 12.41 H new ATOM 0 HB2 ARG A 69 -5.434 -27.370 11.820 1.00 12.12 H new ATOM 0 HB3 ARG A 69 -4.790 -28.909 12.357 1.00 12.12 H new ATOM 0 HG2 ARG A 69 -3.895 -27.541 14.413 1.00 55.51 H new ATOM 0 HG3 ARG A 69 -5.064 -26.336 13.911 1.00 55.51 H new ATOM 0 HD2 ARG A 69 -6.305 -27.628 15.416 1.00 64.01 H new ATOM 0 HD3 ARG A 69 -6.776 -28.308 13.871 1.00 64.01 H new ATOM 0 HE ARG A 69 -5.780 -30.322 14.466 1.00 32.24 H new ATOM 0 HH11 ARG A 69 -4.561 -27.713 16.509 1.00 71.42 H new ATOM 0 HH12 ARG A 69 -3.668 -28.806 17.572 1.00 71.42 H new ATOM 0 HH21 ARG A 69 -4.633 -31.720 15.838 1.00 60.35 H new ATOM 0 HH22 ARG A 69 -3.709 -31.065 17.194 1.00 60.35 H new ATOM 1076 N GLY A 70 -3.439 -27.330 9.423 1.00 2.10 N ATOM 1077 CA GLY A 70 -3.322 -27.834 8.067 1.00 30.23 C ATOM 1078 C GLY A 70 -4.671 -28.090 7.426 1.00 73.14 C ATOM 1079 O GLY A 70 -4.799 -28.066 6.201 1.00 4.23 O ATOM 0 H GLY A 70 -3.772 -26.368 9.495 1.00 2.10 H new ATOM 0 HA2 GLY A 70 -2.766 -27.117 7.463 1.00 30.23 H new ATOM 0 HA3 GLY A 70 -2.745 -28.759 8.075 1.00 30.23 H new ATOM 1083 N ASP A 71 -5.681 -28.338 8.253 1.00 4.31 N ATOM 1084 CA ASP A 71 -7.027 -28.600 7.759 1.00 34.13 C ATOM 1085 C ASP A 71 -7.474 -27.509 6.791 1.00 4.54 C ATOM 1086 O ASP A 71 -6.920 -26.408 6.782 1.00 71.11 O ATOM 1087 CB ASP A 71 -8.011 -28.698 8.926 1.00 14.21 C ATOM 1088 CG ASP A 71 -7.776 -29.928 9.780 1.00 12.13 C ATOM 1089 OD1 ASP A 71 -6.604 -30.205 10.112 1.00 74.31 O ATOM 1090 OD2 ASP A 71 -8.764 -30.613 10.118 1.00 10.11 O ATOM 0 H ASP A 71 -5.592 -28.363 9.269 1.00 4.31 H new ATOM 0 HA ASP A 71 -7.012 -29.550 7.225 1.00 34.13 H new ATOM 0 HB2 ASP A 71 -7.924 -27.806 9.547 1.00 14.21 H new ATOM 0 HB3 ASP A 71 -9.029 -28.718 8.538 1.00 14.21 H new ATOM 1095 N LEU A 72 -8.476 -27.820 5.978 1.00 74.32 N ATOM 1096 CA LEU A 72 -8.997 -26.866 5.005 1.00 62.44 C ATOM 1097 C LEU A 72 -10.167 -26.080 5.586 1.00 53.55 C ATOM 1098 O LEU A 72 -11.074 -26.651 6.191 1.00 72.44 O ATOM 1099 CB LEU A 72 -9.438 -27.594 3.733 1.00 4.02 C ATOM 1100 CG LEU A 72 -8.361 -27.791 2.665 1.00 11.12 C ATOM 1101 CD1 LEU A 72 -8.919 -28.567 1.482 1.00 24.44 C ATOM 1102 CD2 LEU A 72 -7.808 -26.448 2.211 1.00 14.21 C ATOM 0 H LEU A 72 -8.945 -28.726 5.973 1.00 74.32 H new ATOM 0 HA LEU A 72 -8.200 -26.165 4.757 1.00 62.44 H new ATOM 0 HB2 LEU A 72 -9.826 -28.573 4.015 1.00 4.02 H new ATOM 0 HB3 LEU A 72 -10.265 -27.039 3.289 1.00 4.02 H new ATOM 0 HG LEU A 72 -7.546 -28.368 3.101 1.00 11.12 H new ATOM 0 HD11 LEU A 72 -8.139 -28.698 0.732 1.00 24.44 H new ATOM 0 HD12 LEU A 72 -9.266 -29.544 1.819 1.00 24.44 H new ATOM 0 HD13 LEU A 72 -9.753 -28.016 1.046 1.00 24.44 H new ATOM 0 HD21 LEU A 72 -7.043 -26.608 1.451 1.00 14.21 H new ATOM 0 HD22 LEU A 72 -8.614 -25.845 1.793 1.00 14.21 H new ATOM 0 HD23 LEU A 72 -7.370 -25.928 3.063 1.00 14.21 H new ATOM 1114 N VAL A 73 -10.142 -24.764 5.396 1.00 61.13 N ATOM 1115 CA VAL A 73 -11.202 -23.899 5.898 1.00 53.43 C ATOM 1116 C VAL A 73 -11.736 -22.989 4.797 1.00 13.32 C ATOM 1117 O VAL A 73 -11.120 -21.979 4.459 1.00 1.44 O ATOM 1118 CB VAL A 73 -10.710 -23.032 7.072 1.00 54.41 C ATOM 1119 CG1 VAL A 73 -11.854 -22.208 7.643 1.00 13.34 C ATOM 1120 CG2 VAL A 73 -10.079 -23.902 8.148 1.00 13.34 C ATOM 0 H VAL A 73 -9.399 -24.274 4.898 1.00 61.13 H new ATOM 0 HA VAL A 73 -12.003 -24.550 6.248 1.00 53.43 H new ATOM 0 HB VAL A 73 -9.950 -22.345 6.701 1.00 54.41 H new ATOM 0 HG11 VAL A 73 -11.488 -21.602 8.471 1.00 13.34 H new ATOM 0 HG12 VAL A 73 -12.256 -21.557 6.867 1.00 13.34 H new ATOM 0 HG13 VAL A 73 -12.639 -22.874 8.000 1.00 13.34 H new ATOM 0 HG21 VAL A 73 -9.737 -23.273 8.970 1.00 13.34 H new ATOM 0 HG22 VAL A 73 -10.816 -24.614 8.519 1.00 13.34 H new ATOM 0 HG23 VAL A 73 -9.231 -24.443 7.728 1.00 13.34 H new ATOM 1130 N ALA A 74 -12.887 -23.354 4.242 1.00 50.24 N ATOM 1131 CA ALA A 74 -13.506 -22.569 3.181 1.00 60.14 C ATOM 1132 C ALA A 74 -13.700 -21.119 3.612 1.00 74.51 C ATOM 1133 O ALA A 74 -14.585 -20.812 4.411 1.00 32.41 O ATOM 1134 CB ALA A 74 -14.838 -23.185 2.777 1.00 45.21 C ATOM 0 H ALA A 74 -13.410 -24.188 4.509 1.00 50.24 H new ATOM 0 HA ALA A 74 -12.838 -22.578 2.320 1.00 60.14 H new ATOM 0 HB1 ALA A 74 -15.289 -22.589 1.984 1.00 45.21 H new ATOM 0 HB2 ALA A 74 -14.675 -24.201 2.419 1.00 45.21 H new ATOM 0 HB3 ALA A 74 -15.505 -23.207 3.639 1.00 45.21 H new ATOM 1140 N PHE A 75 -12.868 -20.232 3.079 1.00 43.43 N ATOM 1141 CA PHE A 75 -12.947 -18.814 3.410 1.00 12.32 C ATOM 1142 C PHE A 75 -13.781 -18.060 2.378 1.00 4.21 C ATOM 1143 O PHE A 75 -13.785 -18.404 1.196 1.00 22.23 O ATOM 1144 CB PHE A 75 -11.545 -18.208 3.491 1.00 45.31 C ATOM 1145 CG PHE A 75 -10.882 -18.050 2.152 1.00 23.13 C ATOM 1146 CD1 PHE A 75 -11.063 -16.897 1.406 1.00 11.21 C ATOM 1147 CD2 PHE A 75 -10.077 -19.055 1.640 1.00 21.03 C ATOM 1148 CE1 PHE A 75 -10.455 -16.750 0.174 1.00 40.32 C ATOM 1149 CE2 PHE A 75 -9.466 -18.913 0.409 1.00 63.43 C ATOM 1150 CZ PHE A 75 -9.654 -17.759 -0.325 1.00 53.30 C ATOM 0 H PHE A 75 -12.131 -20.470 2.416 1.00 43.43 H new ATOM 0 HA PHE A 75 -13.432 -18.720 4.382 1.00 12.32 H new ATOM 0 HB2 PHE A 75 -11.607 -17.233 3.974 1.00 45.31 H new ATOM 0 HB3 PHE A 75 -10.921 -18.839 4.124 1.00 45.31 H new ATOM 0 HD1 PHE A 75 -11.686 -16.104 1.792 1.00 11.21 H new ATOM 0 HD2 PHE A 75 -9.925 -19.960 2.210 1.00 21.03 H new ATOM 0 HE1 PHE A 75 -10.606 -15.847 -0.399 1.00 40.32 H new ATOM 0 HE2 PHE A 75 -8.842 -19.704 0.021 1.00 63.43 H new ATOM 0 HZ PHE A 75 -9.176 -17.645 -1.287 1.00 53.30 H new ATOM 1160 N SER A 76 -14.486 -17.029 2.834 1.00 22.51 N ATOM 1161 CA SER A 76 -15.327 -16.229 1.952 1.00 10.23 C ATOM 1162 C SER A 76 -15.712 -14.911 2.618 1.00 72.11 C ATOM 1163 O SER A 76 -16.827 -14.418 2.445 1.00 43.02 O ATOM 1164 CB SER A 76 -16.587 -17.007 1.569 1.00 31.23 C ATOM 1165 OG SER A 76 -17.281 -16.366 0.513 1.00 34.13 O ATOM 0 H SER A 76 -14.491 -16.729 3.809 1.00 22.51 H new ATOM 0 HA SER A 76 -14.757 -16.008 1.049 1.00 10.23 H new ATOM 0 HB2 SER A 76 -16.316 -18.019 1.269 1.00 31.23 H new ATOM 0 HB3 SER A 76 -17.241 -17.096 2.437 1.00 31.23 H new ATOM 0 HG SER A 76 -17.404 -15.418 0.730 1.00 34.13 H new ATOM 1171 N SER A 77 -14.781 -14.346 3.380 1.00 33.12 N ATOM 1172 CA SER A 77 -15.023 -13.088 4.076 1.00 52.53 C ATOM 1173 C SER A 77 -13.708 -12.385 4.400 1.00 55.41 C ATOM 1174 O SER A 77 -12.684 -13.031 4.621 1.00 14.02 O ATOM 1175 CB SER A 77 -15.813 -13.335 5.362 1.00 30.14 C ATOM 1176 OG SER A 77 -16.391 -12.135 5.845 1.00 41.40 O ATOM 0 H SER A 77 -13.852 -14.740 3.531 1.00 33.12 H new ATOM 0 HA SER A 77 -15.607 -12.444 3.418 1.00 52.53 H new ATOM 0 HB2 SER A 77 -16.596 -14.070 5.176 1.00 30.14 H new ATOM 0 HB3 SER A 77 -15.154 -13.756 6.122 1.00 30.14 H new ATOM 0 HG SER A 77 -16.892 -12.321 6.667 1.00 41.40 H new ATOM 1182 N ASP A 78 -13.746 -11.057 4.426 1.00 43.03 N ATOM 1183 CA ASP A 78 -12.558 -10.264 4.724 1.00 74.43 C ATOM 1184 C ASP A 78 -11.926 -10.707 6.040 1.00 51.53 C ATOM 1185 O ASP A 78 -10.703 -10.747 6.168 1.00 30.22 O ATOM 1186 CB ASP A 78 -12.914 -8.778 4.788 1.00 30.33 C ATOM 1187 CG ASP A 78 -13.844 -8.455 5.942 1.00 65.05 C ATOM 1188 OD1 ASP A 78 -14.939 -9.050 6.004 1.00 34.24 O ATOM 1189 OD2 ASP A 78 -13.476 -7.606 6.781 1.00 65.23 O ATOM 0 H ASP A 78 -14.586 -10.507 4.245 1.00 43.03 H new ATOM 0 HA ASP A 78 -11.835 -10.421 3.924 1.00 74.43 H new ATOM 0 HB2 ASP A 78 -12.000 -8.192 4.887 1.00 30.33 H new ATOM 0 HB3 ASP A 78 -13.385 -8.479 3.851 1.00 30.33 H new ATOM 1194 N GLU A 79 -12.768 -11.035 7.014 1.00 34.51 N ATOM 1195 CA GLU A 79 -12.291 -11.472 8.321 1.00 62.53 C ATOM 1196 C GLU A 79 -11.483 -12.761 8.201 1.00 23.54 C ATOM 1197 O GLU A 79 -10.627 -13.048 9.037 1.00 23.54 O ATOM 1198 CB GLU A 79 -13.468 -11.682 9.275 1.00 74.31 C ATOM 1199 CG GLU A 79 -14.456 -12.736 8.801 1.00 44.31 C ATOM 1200 CD GLU A 79 -15.514 -13.053 9.840 1.00 50.45 C ATOM 1201 OE1 GLU A 79 -16.011 -12.108 10.488 1.00 31.51 O ATOM 1202 OE2 GLU A 79 -15.845 -14.246 10.003 1.00 11.32 O ATOM 0 H GLU A 79 -13.784 -11.007 6.923 1.00 34.51 H new ATOM 0 HA GLU A 79 -11.643 -10.693 8.722 1.00 62.53 H new ATOM 0 HB2 GLU A 79 -13.084 -11.970 10.254 1.00 74.31 H new ATOM 0 HB3 GLU A 79 -13.993 -10.736 9.404 1.00 74.31 H new ATOM 0 HG2 GLU A 79 -14.941 -12.390 7.888 1.00 44.31 H new ATOM 0 HG3 GLU A 79 -13.915 -13.648 8.549 1.00 44.31 H new ATOM 1209 N GLU A 80 -11.763 -13.534 7.156 1.00 3.13 N ATOM 1210 CA GLU A 80 -11.063 -14.793 6.929 1.00 41.25 C ATOM 1211 C GLU A 80 -9.702 -14.550 6.283 1.00 41.34 C ATOM 1212 O GLU A 80 -8.738 -15.268 6.550 1.00 3.02 O ATOM 1213 CB GLU A 80 -11.903 -15.716 6.043 1.00 44.33 C ATOM 1214 CG GLU A 80 -13.210 -16.151 6.684 1.00 41.55 C ATOM 1215 CD GLU A 80 -13.005 -17.145 7.810 1.00 0.42 C ATOM 1216 OE1 GLU A 80 -11.973 -17.847 7.802 1.00 4.22 O ATOM 1217 OE2 GLU A 80 -13.878 -17.220 8.700 1.00 2.53 O ATOM 0 H GLU A 80 -12.469 -13.311 6.454 1.00 3.13 H new ATOM 0 HA GLU A 80 -10.907 -15.272 7.896 1.00 41.25 H new ATOM 0 HB2 GLU A 80 -12.120 -15.206 5.105 1.00 44.33 H new ATOM 0 HB3 GLU A 80 -11.317 -16.601 5.796 1.00 44.33 H new ATOM 0 HG2 GLU A 80 -13.731 -15.274 7.069 1.00 41.55 H new ATOM 0 HG3 GLU A 80 -13.853 -16.596 5.924 1.00 41.55 H new ATOM 1224 N LEU A 81 -9.631 -13.533 5.431 1.00 54.05 N ATOM 1225 CA LEU A 81 -8.389 -13.194 4.745 1.00 72.11 C ATOM 1226 C LEU A 81 -7.362 -12.634 5.724 1.00 71.22 C ATOM 1227 O LEU A 81 -6.227 -13.107 5.788 1.00 44.42 O ATOM 1228 CB LEU A 81 -8.658 -12.178 3.633 1.00 21.14 C ATOM 1229 CG LEU A 81 -9.187 -12.748 2.317 1.00 51.22 C ATOM 1230 CD1 LEU A 81 -8.224 -13.783 1.758 1.00 62.33 C ATOM 1231 CD2 LEU A 81 -10.569 -13.354 2.515 1.00 24.21 C ATOM 0 H LEU A 81 -10.419 -12.929 5.199 1.00 54.05 H new ATOM 0 HA LEU A 81 -7.985 -14.106 4.305 1.00 72.11 H new ATOM 0 HB2 LEU A 81 -9.376 -11.446 4.003 1.00 21.14 H new ATOM 0 HB3 LEU A 81 -7.732 -11.641 3.427 1.00 21.14 H new ATOM 0 HG LEU A 81 -9.269 -11.933 1.598 1.00 51.22 H new ATOM 0 HD11 LEU A 81 -8.617 -14.178 0.821 1.00 62.33 H new ATOM 0 HD12 LEU A 81 -7.255 -13.318 1.577 1.00 62.33 H new ATOM 0 HD13 LEU A 81 -8.108 -14.597 2.474 1.00 62.33 H new ATOM 0 HD21 LEU A 81 -10.930 -13.755 1.568 1.00 24.21 H new ATOM 0 HD22 LEU A 81 -10.512 -14.156 3.250 1.00 24.21 H new ATOM 0 HD23 LEU A 81 -11.256 -12.585 2.869 1.00 24.21 H new ATOM 1243 N THR A 82 -7.769 -11.625 6.488 1.00 41.03 N ATOM 1244 CA THR A 82 -6.885 -11.001 7.464 1.00 32.35 C ATOM 1245 C THR A 82 -6.251 -12.044 8.378 1.00 75.44 C ATOM 1246 O THR A 82 -5.135 -11.863 8.861 1.00 5.02 O ATOM 1247 CB THR A 82 -7.639 -9.971 8.326 1.00 2.25 C ATOM 1248 OG1 THR A 82 -6.705 -9.138 9.023 1.00 61.12 O ATOM 1249 CG2 THR A 82 -8.551 -10.665 9.327 1.00 65.43 C ATOM 0 H THR A 82 -8.706 -11.223 6.449 1.00 41.03 H new ATOM 0 HA THR A 82 -6.103 -10.491 6.902 1.00 32.35 H new ATOM 0 HB THR A 82 -8.251 -9.357 7.665 1.00 2.25 H new ATOM 0 HG1 THR A 82 -7.192 -8.485 9.568 1.00 61.12 H new ATOM 0 HG21 THR A 82 -9.072 -9.917 9.924 1.00 65.43 H new ATOM 0 HG22 THR A 82 -9.279 -11.275 8.793 1.00 65.43 H new ATOM 0 HG23 THR A 82 -7.955 -11.301 9.982 1.00 65.43 H new ATOM 1257 N MET A 83 -6.972 -13.137 8.609 1.00 65.30 N ATOM 1258 CA MET A 83 -6.477 -14.211 9.463 1.00 14.24 C ATOM 1259 C MET A 83 -5.563 -15.149 8.683 1.00 64.40 C ATOM 1260 O MET A 83 -4.504 -15.546 9.169 1.00 10.34 O ATOM 1261 CB MET A 83 -7.647 -14.997 10.058 1.00 20.52 C ATOM 1262 CG MET A 83 -7.370 -15.536 11.452 1.00 34.44 C ATOM 1263 SD MET A 83 -8.708 -16.573 12.074 1.00 31.13 S ATOM 1264 CE MET A 83 -10.033 -15.375 12.202 1.00 34.13 C ATOM 0 H MET A 83 -7.899 -13.302 8.217 1.00 65.30 H new ATOM 0 HA MET A 83 -5.901 -13.762 10.272 1.00 14.24 H new ATOM 0 HB2 MET A 83 -8.526 -14.353 10.094 1.00 20.52 H new ATOM 0 HB3 MET A 83 -7.889 -15.829 9.397 1.00 20.52 H new ATOM 0 HG2 MET A 83 -6.445 -16.113 11.437 1.00 34.44 H new ATOM 0 HG3 MET A 83 -7.214 -14.702 12.136 1.00 34.44 H new ATOM 0 HE1 MET A 83 -10.837 -15.786 12.813 1.00 34.13 H new ATOM 0 HE2 MET A 83 -9.656 -14.463 12.665 1.00 34.13 H new ATOM 0 HE3 MET A 83 -10.414 -15.146 11.207 1.00 34.13 H new ATOM 1274 N ALA A 84 -5.978 -15.501 7.471 1.00 75.23 N ATOM 1275 CA ALA A 84 -5.195 -16.392 6.623 1.00 14.40 C ATOM 1276 C ALA A 84 -3.782 -15.856 6.423 1.00 63.33 C ATOM 1277 O ALA A 84 -2.813 -16.615 6.436 1.00 30.30 O ATOM 1278 CB ALA A 84 -5.885 -16.583 5.280 1.00 24.21 C ATOM 0 H ALA A 84 -6.853 -15.183 7.054 1.00 75.23 H new ATOM 0 HA ALA A 84 -5.122 -17.358 7.122 1.00 14.40 H new ATOM 0 HB1 ALA A 84 -5.290 -17.250 4.657 1.00 24.21 H new ATOM 0 HB2 ALA A 84 -6.872 -17.017 5.437 1.00 24.21 H new ATOM 0 HB3 ALA A 84 -5.988 -15.618 4.783 1.00 24.21 H new ATOM 1284 N MET A 85 -3.671 -14.545 6.236 1.00 33.14 N ATOM 1285 CA MET A 85 -2.375 -13.909 6.034 1.00 42.13 C ATOM 1286 C MET A 85 -1.549 -13.938 7.316 1.00 44.04 C ATOM 1287 O MET A 85 -0.322 -13.841 7.277 1.00 70.01 O ATOM 1288 CB MET A 85 -2.559 -12.464 5.565 1.00 74.43 C ATOM 1289 CG MET A 85 -3.365 -12.340 4.282 1.00 74.31 C ATOM 1290 SD MET A 85 -3.079 -10.777 3.430 1.00 15.25 S ATOM 1291 CE MET A 85 -2.921 -11.338 1.737 1.00 40.32 C ATOM 0 H MET A 85 -4.463 -13.903 6.220 1.00 33.14 H new ATOM 0 HA MET A 85 -1.841 -14.468 5.266 1.00 42.13 H new ATOM 0 HB2 MET A 85 -3.054 -11.895 6.352 1.00 74.43 H new ATOM 0 HB3 MET A 85 -1.579 -12.012 5.414 1.00 74.43 H new ATOM 0 HG2 MET A 85 -3.110 -13.164 3.616 1.00 74.31 H new ATOM 0 HG3 MET A 85 -4.426 -12.434 4.514 1.00 74.31 H new ATOM 0 HE1 MET A 85 -2.740 -10.483 1.086 1.00 40.32 H new ATOM 0 HE2 MET A 85 -2.086 -12.035 1.661 1.00 40.32 H new ATOM 0 HE3 MET A 85 -3.840 -11.838 1.432 1.00 40.32 H new ATOM 1301 N SER A 86 -2.229 -14.072 8.450 1.00 44.42 N ATOM 1302 CA SER A 86 -1.557 -14.109 9.744 1.00 71.23 C ATOM 1303 C SER A 86 -0.700 -15.364 9.875 1.00 61.53 C ATOM 1304 O SER A 86 0.282 -15.384 10.617 1.00 63.41 O ATOM 1305 CB SER A 86 -2.584 -14.059 10.877 1.00 51.44 C ATOM 1306 OG SER A 86 -1.981 -13.655 12.094 1.00 71.11 O ATOM 0 H SER A 86 -3.244 -14.157 8.499 1.00 44.42 H new ATOM 0 HA SER A 86 -0.907 -13.237 9.813 1.00 71.23 H new ATOM 0 HB2 SER A 86 -3.384 -13.366 10.616 1.00 51.44 H new ATOM 0 HB3 SER A 86 -3.040 -15.041 11.002 1.00 51.44 H new ATOM 0 HG SER A 86 -2.658 -13.629 12.802 1.00 71.11 H new ATOM 1312 N TYR A 87 -1.079 -16.410 9.149 1.00 70.23 N ATOM 1313 CA TYR A 87 -0.348 -17.671 9.185 1.00 63.14 C ATOM 1314 C TYR A 87 0.933 -17.582 8.361 1.00 42.53 C ATOM 1315 O TYR A 87 2.021 -17.891 8.847 1.00 2.51 O ATOM 1316 CB TYR A 87 -1.226 -18.809 8.661 1.00 25.11 C ATOM 1317 CG TYR A 87 -2.476 -19.035 9.480 1.00 31.22 C ATOM 1318 CD1 TYR A 87 -3.634 -18.309 9.232 1.00 51.13 C ATOM 1319 CD2 TYR A 87 -2.500 -19.976 10.502 1.00 22.14 C ATOM 1320 CE1 TYR A 87 -4.779 -18.512 9.978 1.00 5.33 C ATOM 1321 CE2 TYR A 87 -3.640 -20.187 11.253 1.00 12.22 C ATOM 1322 CZ TYR A 87 -4.777 -19.452 10.988 1.00 42.24 C ATOM 1323 OH TYR A 87 -5.915 -19.658 11.733 1.00 52.24 O ATOM 0 H TYR A 87 -1.888 -16.409 8.528 1.00 70.23 H new ATOM 0 HA TYR A 87 -0.079 -17.876 10.221 1.00 63.14 H new ATOM 0 HB2 TYR A 87 -1.511 -18.593 7.631 1.00 25.11 H new ATOM 0 HB3 TYR A 87 -0.642 -19.729 8.644 1.00 25.11 H new ATOM 0 HD1 TYR A 87 -3.639 -17.573 8.442 1.00 51.13 H new ATOM 0 HD2 TYR A 87 -1.612 -20.553 10.713 1.00 22.14 H new ATOM 0 HE1 TYR A 87 -5.670 -17.938 9.772 1.00 5.33 H new ATOM 0 HE2 TYR A 87 -3.641 -20.923 12.043 1.00 12.22 H new ATOM 0 HH TYR A 87 -5.746 -20.354 12.402 1.00 52.24 H new ATOM 1333 N VAL A 88 0.796 -17.155 7.109 1.00 35.41 N ATOM 1334 CA VAL A 88 1.941 -17.023 6.216 1.00 14.44 C ATOM 1335 C VAL A 88 2.815 -15.840 6.617 1.00 64.02 C ATOM 1336 O VAL A 88 2.330 -14.719 6.773 1.00 65.13 O ATOM 1337 CB VAL A 88 1.494 -16.844 4.753 1.00 33.42 C ATOM 1338 CG1 VAL A 88 0.615 -15.611 4.610 1.00 75.54 C ATOM 1339 CG2 VAL A 88 2.703 -16.757 3.834 1.00 31.02 C ATOM 0 H VAL A 88 -0.097 -16.895 6.691 1.00 35.41 H new ATOM 0 HA VAL A 88 2.518 -17.944 6.301 1.00 14.44 H new ATOM 0 HB VAL A 88 0.907 -17.715 4.461 1.00 33.42 H new ATOM 0 HG11 VAL A 88 0.309 -15.501 3.570 1.00 75.54 H new ATOM 0 HG12 VAL A 88 -0.269 -15.719 5.239 1.00 75.54 H new ATOM 0 HG13 VAL A 88 1.174 -14.728 4.919 1.00 75.54 H new ATOM 0 HG21 VAL A 88 2.369 -16.631 2.804 1.00 31.02 H new ATOM 0 HG22 VAL A 88 3.319 -15.905 4.123 1.00 31.02 H new ATOM 0 HG23 VAL A 88 3.289 -17.673 3.916 1.00 31.02 H new ATOM 1349 N LYS A 89 4.109 -16.097 6.782 1.00 55.13 N ATOM 1350 CA LYS A 89 5.054 -15.054 7.162 1.00 32.15 C ATOM 1351 C LYS A 89 5.668 -14.400 5.929 1.00 0.20 C ATOM 1352 O LYS A 89 6.091 -13.244 5.973 1.00 31.42 O ATOM 1353 CB LYS A 89 6.158 -15.636 8.047 1.00 22.43 C ATOM 1354 CG LYS A 89 6.958 -14.583 8.794 1.00 21.11 C ATOM 1355 CD LYS A 89 7.845 -15.207 9.859 1.00 73.12 C ATOM 1356 CE LYS A 89 9.079 -15.853 9.248 1.00 1.40 C ATOM 1357 NZ LYS A 89 8.798 -17.229 8.754 1.00 41.15 N ATOM 0 H LYS A 89 4.527 -17.019 6.658 1.00 55.13 H new ATOM 0 HA LYS A 89 4.511 -14.293 7.722 1.00 32.15 H new ATOM 0 HB2 LYS A 89 5.711 -16.320 8.768 1.00 22.43 H new ATOM 0 HB3 LYS A 89 6.836 -16.224 7.428 1.00 22.43 H new ATOM 0 HG2 LYS A 89 7.573 -14.024 8.089 1.00 21.11 H new ATOM 0 HG3 LYS A 89 6.277 -13.869 9.258 1.00 21.11 H new ATOM 0 HD2 LYS A 89 8.149 -14.443 10.574 1.00 73.12 H new ATOM 0 HD3 LYS A 89 7.278 -15.955 10.414 1.00 73.12 H new ATOM 0 HE2 LYS A 89 9.440 -15.238 8.424 1.00 1.40 H new ATOM 0 HE3 LYS A 89 9.875 -15.890 9.991 1.00 1.40 H new ATOM 0 HZ1 LYS A 89 9.563 -17.868 9.051 1.00 41.15 H new ATOM 0 HZ2 LYS A 89 7.896 -17.562 9.149 1.00 41.15 H new ATOM 0 HZ3 LYS A 89 8.739 -17.220 7.716 1.00 41.15 H new ATOM 1371 N ASP A 90 5.713 -15.145 4.830 1.00 14.12 N ATOM 1372 CA ASP A 90 6.273 -14.636 3.584 1.00 72.14 C ATOM 1373 C ASP A 90 5.247 -13.796 2.829 1.00 35.35 C ATOM 1374 O ASP A 90 4.187 -13.467 3.363 1.00 40.42 O ATOM 1375 CB ASP A 90 6.749 -15.793 2.704 1.00 60.12 C ATOM 1376 CG ASP A 90 7.662 -16.748 3.448 1.00 73.25 C ATOM 1377 OD1 ASP A 90 8.666 -16.281 4.023 1.00 24.01 O ATOM 1378 OD2 ASP A 90 7.372 -17.963 3.453 1.00 32.22 O ATOM 0 H ASP A 90 5.368 -16.104 4.777 1.00 14.12 H new ATOM 0 HA ASP A 90 7.125 -14.002 3.830 1.00 72.14 H new ATOM 0 HB2 ASP A 90 5.884 -16.340 2.329 1.00 60.12 H new ATOM 0 HB3 ASP A 90 7.275 -15.394 1.837 1.00 60.12 H new ATOM 1383 N ASP A 91 5.569 -13.453 1.587 1.00 14.03 N ATOM 1384 CA ASP A 91 4.675 -12.651 0.759 1.00 32.44 C ATOM 1385 C ASP A 91 3.922 -13.529 -0.236 1.00 23.45 C ATOM 1386 O ASP A 91 3.508 -13.065 -1.298 1.00 72.21 O ATOM 1387 CB ASP A 91 5.465 -11.575 0.013 1.00 34.01 C ATOM 1388 CG ASP A 91 6.727 -12.121 -0.625 1.00 1.24 C ATOM 1389 OD1 ASP A 91 6.752 -13.325 -0.955 1.00 55.42 O ATOM 1390 OD2 ASP A 91 7.691 -11.344 -0.792 1.00 70.43 O ATOM 0 H ASP A 91 6.442 -13.718 1.131 1.00 14.03 H new ATOM 0 HA ASP A 91 3.948 -12.169 1.413 1.00 32.44 H new ATOM 0 HB2 ASP A 91 4.833 -11.134 -0.758 1.00 34.01 H new ATOM 0 HB3 ASP A 91 5.728 -10.776 0.706 1.00 34.01 H new ATOM 1395 N ILE A 92 3.751 -14.799 0.116 1.00 73.34 N ATOM 1396 CA ILE A 92 3.048 -15.742 -0.747 1.00 4.44 C ATOM 1397 C ILE A 92 1.852 -16.357 -0.029 1.00 13.31 C ATOM 1398 O ILE A 92 1.997 -16.976 1.025 1.00 4.13 O ATOM 1399 CB ILE A 92 3.981 -16.870 -1.225 1.00 41.22 C ATOM 1400 CG1 ILE A 92 5.173 -16.287 -1.987 1.00 40.13 C ATOM 1401 CG2 ILE A 92 3.217 -17.854 -2.098 1.00 42.03 C ATOM 1402 CD1 ILE A 92 6.144 -17.335 -2.483 1.00 25.11 C ATOM 0 H ILE A 92 4.089 -15.199 0.991 1.00 73.34 H new ATOM 0 HA ILE A 92 2.699 -15.179 -1.612 1.00 4.44 H new ATOM 0 HB ILE A 92 4.358 -17.404 -0.353 1.00 41.22 H new ATOM 0 HG12 ILE A 92 4.805 -15.713 -2.837 1.00 40.13 H new ATOM 0 HG13 ILE A 92 5.703 -15.590 -1.338 1.00 40.13 H new ATOM 0 HG21 ILE A 92 3.890 -18.646 -2.428 1.00 42.03 H new ATOM 0 HG22 ILE A 92 2.398 -18.289 -1.525 1.00 42.03 H new ATOM 0 HG23 ILE A 92 2.815 -17.333 -2.967 1.00 42.03 H new ATOM 0 HD11 ILE A 92 6.963 -16.850 -3.014 1.00 25.11 H new ATOM 0 HD12 ILE A 92 6.541 -17.893 -1.635 1.00 25.11 H new ATOM 0 HD13 ILE A 92 5.629 -18.018 -3.158 1.00 25.11 H new ATOM 1414 N PHE A 93 0.668 -16.184 -0.608 1.00 43.51 N ATOM 1415 CA PHE A 93 -0.555 -16.722 -0.025 1.00 23.34 C ATOM 1416 C PHE A 93 -1.112 -17.856 -0.880 1.00 61.23 C ATOM 1417 O PHE A 93 -1.587 -17.632 -1.994 1.00 12.04 O ATOM 1418 CB PHE A 93 -1.603 -15.618 0.125 1.00 73.13 C ATOM 1419 CG PHE A 93 -2.890 -16.092 0.738 1.00 22.11 C ATOM 1420 CD1 PHE A 93 -2.879 -16.910 1.856 1.00 15.04 C ATOM 1421 CD2 PHE A 93 -4.109 -15.720 0.196 1.00 75.21 C ATOM 1422 CE1 PHE A 93 -4.062 -17.348 2.424 1.00 45.34 C ATOM 1423 CE2 PHE A 93 -5.295 -16.154 0.759 1.00 24.30 C ATOM 1424 CZ PHE A 93 -5.271 -16.970 1.873 1.00 24.04 C ATOM 0 H PHE A 93 0.530 -15.675 -1.481 1.00 43.51 H new ATOM 0 HA PHE A 93 -0.313 -17.119 0.961 1.00 23.34 H new ATOM 0 HB2 PHE A 93 -1.190 -14.818 0.739 1.00 73.13 H new ATOM 0 HB3 PHE A 93 -1.813 -15.191 -0.856 1.00 73.13 H new ATOM 0 HD1 PHE A 93 -1.936 -17.209 2.289 1.00 15.04 H new ATOM 0 HD2 PHE A 93 -4.134 -15.084 -0.676 1.00 75.21 H new ATOM 0 HE1 PHE A 93 -4.040 -17.984 3.296 1.00 45.34 H new ATOM 0 HE2 PHE A 93 -6.239 -15.855 0.328 1.00 24.30 H new ATOM 0 HZ PHE A 93 -6.196 -17.312 2.313 1.00 24.04 H new ATOM 1434 N ARG A 94 -1.049 -19.074 -0.352 1.00 71.00 N ATOM 1435 CA ARG A 94 -1.545 -20.244 -1.067 1.00 52.42 C ATOM 1436 C ARG A 94 -3.001 -20.524 -0.706 1.00 71.25 C ATOM 1437 O ARG A 94 -3.400 -20.394 0.451 1.00 30.02 O ATOM 1438 CB ARG A 94 -0.684 -21.467 -0.747 1.00 14.12 C ATOM 1439 CG ARG A 94 -0.863 -21.983 0.672 1.00 53.03 C ATOM 1440 CD ARG A 94 0.397 -22.667 1.179 1.00 75.45 C ATOM 1441 NE ARG A 94 0.094 -23.878 1.938 1.00 42.41 N ATOM 1442 CZ ARG A 94 -0.193 -25.046 1.375 1.00 53.11 C ATOM 1443 NH1 ARG A 94 -0.217 -25.161 0.054 1.00 20.13 N ATOM 1444 NH2 ARG A 94 -0.457 -26.102 2.133 1.00 34.23 N ATOM 0 H ARG A 94 -0.659 -19.276 0.569 1.00 71.00 H new ATOM 0 HA ARG A 94 -1.487 -20.038 -2.136 1.00 52.42 H new ATOM 0 HB2 ARG A 94 -0.927 -22.265 -1.448 1.00 14.12 H new ATOM 0 HB3 ARG A 94 0.365 -21.214 -0.903 1.00 14.12 H new ATOM 0 HG2 ARG A 94 -1.119 -21.154 1.332 1.00 53.03 H new ATOM 0 HG3 ARG A 94 -1.697 -22.685 0.703 1.00 53.03 H new ATOM 0 HD2 ARG A 94 1.038 -22.919 0.334 1.00 75.45 H new ATOM 0 HD3 ARG A 94 0.957 -21.975 1.808 1.00 75.45 H new ATOM 0 HE ARG A 94 0.103 -23.823 2.956 1.00 42.41 H new ATOM 0 HH11 ARG A 94 -0.015 -24.351 -0.532 1.00 20.13 H new ATOM 0 HH12 ARG A 94 -0.438 -26.059 -0.376 1.00 20.13 H new ATOM 0 HH21 ARG A 94 -0.440 -26.017 3.149 1.00 34.23 H new ATOM 0 HH22 ARG A 94 -0.677 -26.999 1.700 1.00 34.23 H new ATOM 1458 N ILE A 95 -3.789 -20.909 -1.705 1.00 0.12 N ATOM 1459 CA ILE A 95 -5.200 -21.208 -1.492 1.00 64.13 C ATOM 1460 C ILE A 95 -5.658 -22.358 -2.382 1.00 63.44 C ATOM 1461 O ILE A 95 -5.175 -22.520 -3.504 1.00 11.24 O ATOM 1462 CB ILE A 95 -6.084 -19.977 -1.767 1.00 62.53 C ATOM 1463 CG1 ILE A 95 -5.720 -19.352 -3.115 1.00 40.14 C ATOM 1464 CG2 ILE A 95 -5.936 -18.958 -0.647 1.00 73.43 C ATOM 1465 CD1 ILE A 95 -6.751 -18.369 -3.623 1.00 52.42 C ATOM 0 H ILE A 95 -3.474 -21.021 -2.669 1.00 0.12 H new ATOM 0 HA ILE A 95 -5.308 -21.496 -0.446 1.00 64.13 H new ATOM 0 HB ILE A 95 -7.125 -20.297 -1.805 1.00 62.53 H new ATOM 0 HG12 ILE A 95 -4.760 -18.844 -3.024 1.00 40.14 H new ATOM 0 HG13 ILE A 95 -5.592 -20.145 -3.852 1.00 40.14 H new ATOM 0 HG21 ILE A 95 -6.567 -18.094 -0.856 1.00 73.43 H new ATOM 0 HG22 ILE A 95 -6.239 -19.409 0.298 1.00 73.43 H new ATOM 0 HG23 ILE A 95 -4.896 -18.640 -0.580 1.00 73.43 H new ATOM 0 HD11 ILE A 95 -6.427 -17.965 -4.582 1.00 52.42 H new ATOM 0 HD12 ILE A 95 -7.708 -18.877 -3.747 1.00 52.42 H new ATOM 0 HD13 ILE A 95 -6.862 -17.555 -2.906 1.00 52.42 H new ATOM 1477 N TYR A 96 -6.593 -23.154 -1.876 1.00 71.24 N ATOM 1478 CA TYR A 96 -7.117 -24.290 -2.625 1.00 62.52 C ATOM 1479 C TYR A 96 -8.473 -23.959 -3.241 1.00 1.04 C ATOM 1480 O TYR A 96 -9.468 -23.807 -2.532 1.00 32.24 O ATOM 1481 CB TYR A 96 -7.243 -25.513 -1.715 1.00 65.51 C ATOM 1482 CG TYR A 96 -5.912 -26.102 -1.304 1.00 3.41 C ATOM 1483 CD1 TYR A 96 -5.023 -25.377 -0.518 1.00 72.43 C ATOM 1484 CD2 TYR A 96 -5.542 -27.380 -1.701 1.00 72.54 C ATOM 1485 CE1 TYR A 96 -3.806 -25.910 -0.141 1.00 22.24 C ATOM 1486 CE2 TYR A 96 -4.328 -27.922 -1.327 1.00 44.23 C ATOM 1487 CZ TYR A 96 -3.463 -27.183 -0.547 1.00 42.11 C ATOM 1488 OH TYR A 96 -2.251 -27.718 -0.174 1.00 34.15 O ATOM 0 H TYR A 96 -7.004 -23.034 -0.950 1.00 71.24 H new ATOM 0 HA TYR A 96 -6.418 -24.515 -3.431 1.00 62.52 H new ATOM 0 HB2 TYR A 96 -7.799 -25.234 -0.820 1.00 65.51 H new ATOM 0 HB3 TYR A 96 -7.827 -26.278 -2.227 1.00 65.51 H new ATOM 0 HD1 TYR A 96 -5.289 -24.381 -0.197 1.00 72.43 H new ATOM 0 HD2 TYR A 96 -6.216 -27.961 -2.313 1.00 72.54 H new ATOM 0 HE1 TYR A 96 -3.126 -25.333 0.469 1.00 22.24 H new ATOM 0 HE2 TYR A 96 -4.058 -28.919 -1.643 1.00 44.23 H new ATOM 0 HH TYR A 96 -2.166 -28.622 -0.542 1.00 34.15 H new ATOM 1498 N ILE A 97 -8.503 -23.849 -4.564 1.00 54.04 N ATOM 1499 CA ILE A 97 -9.737 -23.537 -5.276 1.00 65.53 C ATOM 1500 C ILE A 97 -10.500 -24.808 -5.635 1.00 41.23 C ATOM 1501 O ILE A 97 -9.913 -25.792 -6.086 1.00 12.02 O ATOM 1502 CB ILE A 97 -9.457 -22.739 -6.563 1.00 53.12 C ATOM 1503 CG1 ILE A 97 -8.491 -21.588 -6.276 1.00 21.03 C ATOM 1504 CG2 ILE A 97 -10.757 -22.212 -7.152 1.00 12.40 C ATOM 1505 CD1 ILE A 97 -8.970 -20.655 -5.186 1.00 23.04 C ATOM 0 H ILE A 97 -7.688 -23.971 -5.165 1.00 54.04 H new ATOM 0 HA ILE A 97 -10.344 -22.929 -4.606 1.00 65.53 H new ATOM 0 HB ILE A 97 -8.993 -23.404 -7.292 1.00 53.12 H new ATOM 0 HG12 ILE A 97 -7.523 -21.999 -5.991 1.00 21.03 H new ATOM 0 HG13 ILE A 97 -8.338 -21.016 -7.191 1.00 21.03 H new ATOM 0 HG21 ILE A 97 -10.543 -21.650 -8.061 1.00 12.40 H new ATOM 0 HG22 ILE A 97 -11.415 -23.048 -7.389 1.00 12.40 H new ATOM 0 HG23 ILE A 97 -11.246 -21.559 -6.429 1.00 12.40 H new ATOM 0 HD11 ILE A 97 -8.236 -19.863 -5.036 1.00 23.04 H new ATOM 0 HD12 ILE A 97 -9.924 -20.215 -5.477 1.00 23.04 H new ATOM 0 HD13 ILE A 97 -9.096 -21.213 -4.258 1.00 23.04 H new ATOM 1517 N LYS A 98 -11.813 -24.779 -5.434 1.00 71.04 N ATOM 1518 CA LYS A 98 -12.660 -25.926 -5.739 1.00 65.43 C ATOM 1519 C LYS A 98 -14.018 -25.476 -6.267 1.00 42.51 C ATOM 1520 O LYS A 98 -14.712 -24.688 -5.625 1.00 73.33 O ATOM 1521 CB LYS A 98 -12.847 -26.793 -4.492 1.00 73.54 C ATOM 1522 CG LYS A 98 -11.860 -27.944 -4.397 1.00 73.13 C ATOM 1523 CD LYS A 98 -12.367 -29.039 -3.474 1.00 14.13 C ATOM 1524 CE LYS A 98 -11.791 -30.396 -3.848 1.00 41.44 C ATOM 1525 NZ LYS A 98 -12.719 -31.507 -3.502 1.00 70.41 N ATOM 0 H LYS A 98 -12.314 -23.973 -5.061 1.00 71.04 H new ATOM 0 HA LYS A 98 -12.167 -26.514 -6.513 1.00 65.43 H new ATOM 0 HB2 LYS A 98 -12.748 -26.166 -3.606 1.00 73.54 H new ATOM 0 HB3 LYS A 98 -13.861 -27.193 -4.487 1.00 73.54 H new ATOM 0 HG2 LYS A 98 -11.684 -28.357 -5.390 1.00 73.13 H new ATOM 0 HG3 LYS A 98 -10.902 -27.574 -4.032 1.00 73.13 H new ATOM 0 HD2 LYS A 98 -12.100 -28.801 -2.444 1.00 14.13 H new ATOM 0 HD3 LYS A 98 -13.455 -29.080 -3.520 1.00 14.13 H new ATOM 0 HE2 LYS A 98 -11.580 -30.419 -4.917 1.00 41.44 H new ATOM 0 HE3 LYS A 98 -10.842 -30.542 -3.333 1.00 41.44 H new ATOM 0 HZ1 LYS A 98 -12.290 -32.415 -3.773 1.00 70.41 H new ATOM 0 HZ2 LYS A 98 -12.901 -31.501 -2.478 1.00 70.41 H new ATOM 0 HZ3 LYS A 98 -13.616 -31.382 -4.013 1.00 70.41 H new ATOM 1539 N GLU A 99 -14.390 -25.981 -7.439 1.00 21.01 N ATOM 1540 CA GLU A 99 -15.666 -25.630 -8.051 1.00 41.41 C ATOM 1541 C GLU A 99 -16.818 -26.359 -7.365 1.00 44.13 C ATOM 1542 O GLU A 99 -16.766 -27.572 -7.161 1.00 72.05 O ATOM 1543 CB GLU A 99 -15.651 -25.967 -9.544 1.00 2.15 C ATOM 1544 CG GLU A 99 -15.205 -27.389 -9.842 1.00 13.32 C ATOM 1545 CD GLU A 99 -16.299 -28.220 -10.483 1.00 60.33 C ATOM 1546 OE1 GLU A 99 -16.941 -27.724 -11.433 1.00 63.21 O ATOM 1547 OE2 GLU A 99 -16.513 -29.366 -10.036 1.00 75.21 O ATOM 0 H GLU A 99 -13.826 -26.634 -7.983 1.00 21.01 H new ATOM 0 HA GLU A 99 -15.815 -24.557 -7.930 1.00 41.41 H new ATOM 0 HB2 GLU A 99 -16.650 -25.815 -9.952 1.00 2.15 H new ATOM 0 HB3 GLU A 99 -14.988 -25.272 -10.058 1.00 2.15 H new ATOM 0 HG2 GLU A 99 -14.339 -27.363 -10.503 1.00 13.32 H new ATOM 0 HG3 GLU A 99 -14.885 -27.867 -8.916 1.00 13.32 H new ATOM 1554 N LYS A 100 -17.856 -25.610 -7.011 1.00 34.25 N ATOM 1555 CA LYS A 100 -19.022 -26.183 -6.348 1.00 52.11 C ATOM 1556 C LYS A 100 -19.675 -27.250 -7.221 1.00 44.02 C ATOM 1557 O LYS A 100 -20.425 -28.094 -6.731 1.00 15.54 O ATOM 1558 CB LYS A 100 -20.038 -25.086 -6.020 1.00 21.31 C ATOM 1559 CG LYS A 100 -19.609 -24.183 -4.877 1.00 14.24 C ATOM 1560 CD LYS A 100 -20.807 -23.566 -4.174 1.00 54.45 C ATOM 1561 CE LYS A 100 -21.547 -22.595 -5.083 1.00 24.03 C ATOM 1562 NZ LYS A 100 -22.578 -23.283 -5.908 1.00 23.22 N ATOM 0 H LYS A 100 -17.914 -24.604 -7.172 1.00 34.25 H new ATOM 0 HA LYS A 100 -18.689 -26.651 -5.422 1.00 52.11 H new ATOM 0 HB2 LYS A 100 -20.204 -24.478 -6.910 1.00 21.31 H new ATOM 0 HB3 LYS A 100 -20.992 -25.549 -5.768 1.00 21.31 H new ATOM 0 HG2 LYS A 100 -19.021 -24.756 -4.160 1.00 14.24 H new ATOM 0 HG3 LYS A 100 -18.963 -23.392 -5.259 1.00 14.24 H new ATOM 0 HD2 LYS A 100 -21.487 -24.355 -3.852 1.00 54.45 H new ATOM 0 HD3 LYS A 100 -20.475 -23.045 -3.276 1.00 54.45 H new ATOM 0 HE2 LYS A 100 -22.022 -21.822 -4.479 1.00 24.03 H new ATOM 0 HE3 LYS A 100 -20.833 -22.094 -5.737 1.00 24.03 H new ATOM 0 HZ1 LYS A 100 -23.474 -22.757 -5.853 1.00 23.22 H new ATOM 0 HZ2 LYS A 100 -22.260 -23.324 -6.897 1.00 23.22 H new ATOM 0 HZ3 LYS A 100 -22.721 -24.249 -5.550 1.00 23.22 H new